2-tert-butyl-N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;2-[3-(methoxymethyl)phenyl]-N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;methyl 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-4-carboxylate;methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-5-carboxylate

C83H80N18O10 — CID 159316684

IUPAC2-tert-butyl-N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;2-[3-(methoxymethyl)phenyl]-N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;methyl 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-4-carboxylate;methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-5-carboxylate
SMILESC=C1Nc2ccc(-n3c(C(C)(C)C)nc4cc(C(=O)NC)ccc43)cc2N1.CNC(=O)c1ccc2c(c1)nc(-c1cccc(COC)c1)n2-c1ccc2[nH]c(=O)[nH]c2c1.COC(=O)c1ccc2nc(C(C)C)n(-c3ccc4[nH]c(=O)[nH]c4c3)c2c1.COC(=O)c1cccc2c1nc(C(C)C)n2-c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C24H21N5O3.C21H23N5O.2C19H18N4O3/c1-25-23(30)16-6-9-21-20(11-16)26-22(15-5-3-4-14(10-15)13-32-2)29(21)17-7-8-18-19(12-17)28-24(31)27-18;1-12-23-15-8-7-14(11-16(15)24-12)26-18-9-6-13(19(27)22-5)10-17(18)25-20(26)21(2,3)4;1-10(2)17-20-14-6-4-11(18(24)26-3)8-16(14)23(17)12-5-7-13-15(9-12)22-19(25)21-13;1-10(2)17-22-16-12(18(24)26-3)5-4-6-15(16)23(17)11-7-8-13-14(9-11)21-19(25)20-13/h3-12H,13H2,1-2H3,(H,25,30)(H2,27,28,31);6-11,23-24H,1H2,2-5H3,(H,22,27);4-10H,1-3H3,(H2,21,22,25);4-10H,1-3H3,(H2,20,21,25)
InChIKeyLDFNBBDCJVYTKD-UHFFFAOYSA-N
MW1489.67 g/mol
LogP13.57
Rot. Bonds13

About 2-tert-butyl-N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;2-[3-(methoxymethyl)phenyl]-N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;methyl 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-4-carboxylate;methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-5-carboxylate

2-tert-butyl-N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;2-[3-(methoxymethyl)phenyl]-N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;methyl 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-4-carboxylate;methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-5-carboxylate (PubChem CID 159316684) has the molecular formula C83H80N18O10 and a molecular weight of 1489.67 g/mol. Its IUPAC name is 2-tert-butyl-N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;2-[3-(methoxymethyl)phenyl]-N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;methyl 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-4-carboxylate;methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Name2-tert-butyl-N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;2-[3-(methoxymethyl)phenyl]-N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;methyl 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-4-carboxylate;methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-5-carboxylate
PubChem CID159316684
Molecular FormulaC83H80N18O10
Molecular Weight1489.67 g/mol
Exact Mass1488.63
IUPAC Name2-tert-butyl-N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;2-[3-(methoxymethyl)phenyl]-N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;methyl 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-4-carboxylate;methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-5-carboxylate
SMILESC=C1Nc2ccc(-n3c(C(C)(C)C)nc4cc(C(=O)NC)ccc43)cc2N1.CNC(=O)c1ccc2c(c1)nc(-c1cccc(COC)c1)n2-c1ccc2[nH]c(=O)[nH]c2c1.COC(=O)c1ccc2nc(C(C)C)n(-c3ccc4[nH]c(=O)[nH]c4c3)c2c1.COC(=O)c1cccc2c1nc(C(C)C)n2-c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C24H21N5O3.C21H23N5O.2C19H18N4O3/c1-25-23(30)16-6-9-21-20(11-16)26-22(15-5-3-4-14(10-15)13-32-2)29(21)17-7-8-18-19(12-17)28-24(31)27-18;1-12-23-15-8-7-14(11-16(15)24-12)26-18-9-6-13(19(27)22-5)10-17(18)25-20(26)21(2,3)4;1-10(2)17-20-14-6-4-11(18(24)26-3)8-16(14)23(17)12-5-7-13-15(9-12)22-19(25)21-13;1-10(2)17-22-16-12(18(24)26-3)5-4-6-15(16)23(17)11-7-8-13-14(9-11)21-19(25)20-13/h3-12H,13H2,1-2H3,(H,25,30)(H2,27,28,31);6-11,23-24H,1H2,2-5H3,(H,22,27);4-10H,1-3H3,(H2,21,22,25);4-10H,1-3H3,(H2,20,21,25)
InChIKeyLDFNBBDCJVYTKD-UHFFFAOYSA-N
XLogP13.57
TPSA361.32 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001489.67
LogP ≤ 513.57
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Analyze 2-tert-butyl-N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;2-[3-(methoxymethyl)phenyl]-N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;methyl 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-4-carboxylate;methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;2-[3-(methoxymethyl)phenyl]-N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;methyl 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-4-carboxylate;methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-5-carboxylate?
The IUPAC name of 2-tert-butyl-N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;2-[3-(methoxymethyl)phenyl]-N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;methyl 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-4-carboxylate;methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-5-carboxylate (CID 159316684) is 2-tert-butyl-N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;2-[3-(methoxymethyl)phenyl]-N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;methyl 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-4-carboxylate;methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-5-carboxylate.
What is the SMILES notation for 2-tert-butyl-N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;2-[3-(methoxymethyl)phenyl]-N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;methyl 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-4-carboxylate;methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-5-carboxylate?
The canonical SMILES for 2-tert-butyl-N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;2-[3-(methoxymethyl)phenyl]-N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;methyl 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-4-carboxylate;methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-5-carboxylate is C=C1Nc2ccc(-n3c(C(C)(C)C)nc4cc(C(=O)NC)ccc43)cc2N1.CNC(=O)c1ccc2c(c1)nc(-c1cccc(COC)c1)n2-c1ccc2[nH]c(=O)[nH]c2c1.COC(=O)c1ccc2nc(C(C)C)n(-c3ccc4[nH]c(=O)[nH]c4c3)c2c1.COC(=O)c1cccc2c1nc(C(C)C)n2-c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-tert-butyl-N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;2-[3-(methoxymethyl)phenyl]-N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;methyl 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-4-carboxylate;methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-5-carboxylate?
The InChIKey is LDFNBBDCJVYTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3.C21H23N5O.2C19H18N4O3/c1-25-23(30)16-6-9-21-20(11-16)26-22(15-5-3-4-14(10-15)13-32-2)29(21)17-7-8-18-19(12-17)28-24(31)27-18;1-12-23-15-8-7-14(11-16(15)24-12)26-18-9-6-13(19(27)22-5)10-17(18)25-20(26)21(2,3)4;1-10(2)17-20-14-6-4-11(18(24)26-3)8-16(14)23(17)12-5-7-13-15(9-12)22-19(25)21-13;1-10(2)17-22-16-12(18(24)26-3)5-4-6-15(16)23(17)11-7-8-13-14(9-11)21-19(25)20-13/h3-12H,13H2,1-2H3,(H,25,30)(H2,27,28,31);6-11,23-24H,1H2,2-5H3,(H,22,27);4-10H,1-3H3,(H2,21,22,25);4-10H,1-3H3,(H2,20,21,25).
What are the key properties of 2-tert-butyl-N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;2-[3-(methoxymethyl)phenyl]-N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;methyl 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-4-carboxylate;methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-5-carboxylate?
2-tert-butyl-N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;2-[3-(methoxymethyl)phenyl]-N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;methyl 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-4-carboxylate;methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-5-carboxylate has a molecular weight of 1489.67 g/mol, XLogP of 13.57, 13 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;2-[3-(methoxymethyl)phenyl]-N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;methyl 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-4-carboxylate;methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-5-carboxylate is sourced from PubChem (CID 159316684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).