3-chloro-N-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;N-[4-chloro-3-(4,5-dimethyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(4-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide;2-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-pyridin-3-ylethanone

C136H109Cl7N16O15 — CID 159157194

IUPAC3-chloro-N-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;N-[4-chloro-3-(4,5-dimethyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(4-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide;2-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-pyridin-3-ylethanone
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3nc4c(C)cccc4[nH]3)c2)c1.COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(C)c(C)cc4[nH]3)c2)cc1Cl.Cc1cc2nc(-c3cc(NC(=O)c4ccccc4)ccc3Cl)oc2cc1C.Cc1ccc2[nH]c(-c3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3Cl)nc2c1C.Cc1ccc2nc(-c3cc(CC(=O)c4cccnc4)ccc3Cl)oc2c1.Cc1ccc2nc(-c3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3Cl)[nH]c2c1
InChIInChI=1S/C24H20ClN3O3.C23H19Cl2N3O2.C23H18ClN3O3.C23H20ClN3O3.C22H17ClN2O2.C21H15ClN2O2/c1-13-3-7-19-22(14(13)2)28-23(27-19)17-12-16(5-6-18(17)25)26-24(29)15-4-8-20-21(11-15)31-10-9-30-20;1-12-8-19-20(9-13(12)2)28-22(27-19)16-11-15(5-6-17(16)24)26-23(29)14-4-7-21(30-3)18(25)10-14;1-13-2-6-18-19(10-13)27-22(26-18)16-12-15(4-5-17(16)24)25-23(28)14-3-7-20-21(11-14)30-9-8-29-20;1-13-5-4-6-20-21(13)27-22(26-20)18-11-15(7-8-19(18)24)25-23(28)14-9-16(29-2)12-17(10-14)30-3;1-13-10-19-20(11-14(13)2)27-22(25-19)17-12-16(8-9-18(17)23)24-21(26)15-6-4-3-5-7-15;1-13-4-7-18-20(9-13)26-21(24-18)16-10-14(5-6-17(16)22)11-19(25)15-3-2-8-23-12-15/h3-8,11-12H,9-10H2,1-2H3,(H,26,29)(H,27,28);4-11H,1-3H3,(H,26,29)(H,27,28);2-7,10-12H,8-9H2,1H3,(H,25,28)(H,26,27);4-12H,1-3H3,(H,25,28)(H,26,27);3-12H,1-2H3,(H,24,26);2-10,12H,11H2,1H3
InChIKeyKKAQMKRAEWQZGE-UHFFFAOYSA-N
MW2455.64 g/mol
LogP33.91
Rot. Bonds22

About 3-chloro-N-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;N-[4-chloro-3-(4,5-dimethyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(4-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide;2-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-pyridin-3-ylethanone

3-chloro-N-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;N-[4-chloro-3-(4,5-dimethyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(4-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide;2-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-pyridin-3-ylethanone (PubChem CID 159157194) has the molecular formula C136H109Cl7N16O15 and a molecular weight of 2455.64 g/mol. Its IUPAC name is 3-chloro-N-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;N-[4-chloro-3-(4,5-dimethyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(4-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide;2-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-pyridin-3-ylethanone.

Molecular Properties

Compound Name3-chloro-N-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;N-[4-chloro-3-(4,5-dimethyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(4-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide;2-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-pyridin-3-ylethanone
PubChem CID159157194
Molecular FormulaC136H109Cl7N16O15
Molecular Weight2455.64 g/mol
Exact Mass2450.61
IUPAC Name3-chloro-N-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;N-[4-chloro-3-(4,5-dimethyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(4-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide;2-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-pyridin-3-ylethanone
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3nc4c(C)cccc4[nH]3)c2)c1.COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(C)c(C)cc4[nH]3)c2)cc1Cl.Cc1cc2nc(-c3cc(NC(=O)c4ccccc4)ccc3Cl)oc2cc1C.Cc1ccc2[nH]c(-c3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3Cl)nc2c1C.Cc1ccc2nc(-c3cc(CC(=O)c4cccnc4)ccc3Cl)oc2c1.Cc1ccc2nc(-c3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3Cl)[nH]c2c1
InChIInChI=1S/C24H20ClN3O3.C23H19Cl2N3O2.C23H18ClN3O3.C23H20ClN3O3.C22H17ClN2O2.C21H15ClN2O2/c1-13-3-7-19-22(14(13)2)28-23(27-19)17-12-16(5-6-18(17)25)26-24(29)15-4-8-20-21(11-15)31-10-9-30-20;1-12-8-19-20(9-13(12)2)28-22(27-19)16-11-15(5-6-17(16)24)26-23(29)14-4-7-21(30-3)18(25)10-14;1-13-2-6-18-19(10-13)27-22(26-18)16-12-15(4-5-17(16)24)25-23(28)14-3-7-20-21(11-14)30-9-8-29-20;1-13-5-4-6-20-21(13)27-22(26-20)18-11-15(7-8-19(18)24)25-23(28)14-9-16(29-2)12-17(10-14)30-3;1-13-10-19-20(11-14(13)2)27-22(25-19)17-12-16(8-9-18(17)23)24-21(26)15-6-4-3-5-7-15;1-13-4-7-18-20(9-13)26-21(24-18)16-10-14(5-6-17(16)22)11-19(25)15-3-2-8-23-12-15/h3-8,11-12H,9-10H2,1-2H3,(H,26,29)(H,27,28);4-11H,1-3H3,(H,26,29)(H,27,28);2-7,10-12H,8-9H2,1H3,(H,25,28)(H,26,27);4-12H,1-3H3,(H,25,28)(H,26,27);3-12H,1-2H3,(H,24,26);2-10,12H,11H2,1H3
InChIKeyKKAQMKRAEWQZGE-UHFFFAOYSA-N
XLogP33.91
TPSA406.85 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms174
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002455.64
LogP ≤ 533.91
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Analyze 3-chloro-N-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;N-[4-chloro-3-(4,5-dimethyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(4-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide;2-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-pyridin-3-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;N-[4-chloro-3-(4,5-dimethyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(4-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide;2-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-pyridin-3-ylethanone?
The IUPAC name of 3-chloro-N-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;N-[4-chloro-3-(4,5-dimethyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(4-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide;2-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-pyridin-3-ylethanone (CID 159157194) is 3-chloro-N-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;N-[4-chloro-3-(4,5-dimethyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(4-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide;2-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-pyridin-3-ylethanone.
What is the SMILES notation for 3-chloro-N-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;N-[4-chloro-3-(4,5-dimethyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(4-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide;2-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-pyridin-3-ylethanone?
The canonical SMILES for 3-chloro-N-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;N-[4-chloro-3-(4,5-dimethyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(4-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide;2-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-pyridin-3-ylethanone is COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3nc4c(C)cccc4[nH]3)c2)c1.COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(C)c(C)cc4[nH]3)c2)cc1Cl.Cc1cc2nc(-c3cc(NC(=O)c4ccccc4)ccc3Cl)oc2cc1C.Cc1ccc2[nH]c(-c3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3Cl)nc2c1C.Cc1ccc2nc(-c3cc(CC(=O)c4cccnc4)ccc3Cl)oc2c1.Cc1ccc2nc(-c3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3Cl)[nH]c2c1.
What is the InChIKey of 3-chloro-N-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;N-[4-chloro-3-(4,5-dimethyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(4-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide;2-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-pyridin-3-ylethanone?
The InChIKey is KKAQMKRAEWQZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3.C23H19Cl2N3O2.C23H18ClN3O3.C23H20ClN3O3.C22H17ClN2O2.C21H15ClN2O2/c1-13-3-7-19-22(14(13)2)28-23(27-19)17-12-16(5-6-18(17)25)26-24(29)15-4-8-20-21(11-15)31-10-9-30-20;1-12-8-19-20(9-13(12)2)28-22(27-19)16-11-15(5-6-17(16)24)26-23(29)14-4-7-21(30-3)18(25)10-14;1-13-2-6-18-19(10-13)27-22(26-18)16-12-15(4-5-17(16)24)25-23(28)14-3-7-20-21(11-14)30-9-8-29-20;1-13-5-4-6-20-21(13)27-22(26-20)18-11-15(7-8-19(18)24)25-23(28)14-9-16(29-2)12-17(10-14)30-3;1-13-10-19-20(11-14(13)2)27-22(25-19)17-12-16(8-9-18(17)23)24-21(26)15-6-4-3-5-7-15;1-13-4-7-18-20(9-13)26-21(24-18)16-10-14(5-6-17(16)22)11-19(25)15-3-2-8-23-12-15/h3-8,11-12H,9-10H2,1-2H3,(H,26,29)(H,27,28);4-11H,1-3H3,(H,26,29)(H,27,28);2-7,10-12H,8-9H2,1H3,(H,25,28)(H,26,27);4-12H,1-3H3,(H,25,28)(H,26,27);3-12H,1-2H3,(H,24,26);2-10,12H,11H2,1H3.
What are the key properties of 3-chloro-N-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;N-[4-chloro-3-(4,5-dimethyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(4-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide;2-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-pyridin-3-ylethanone?
3-chloro-N-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;N-[4-chloro-3-(4,5-dimethyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(4-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide;2-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-pyridin-3-ylethanone has a molecular weight of 2455.64 g/mol, XLogP of 33.91, 22 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;N-[4-chloro-3-(4,5-dimethyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[4-chloro-3-(4-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide;2-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-pyridin-3-ylethanone is sourced from PubChem (CID 159157194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).