N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide

C23H20ClN3O4 — CID 2033052

IUPACN-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc(OC)c1OC
InChIInChI=1S/C23H20ClN3O4/c1-29-19-11-14(12-20(30-2)21(19)31-3)23(28)27-18-10-13(8-9-15(18)24)22-25-16-6-4-5-7-17(16)26-22/h4-12H,1-3H3,(H,25,26)(H,27,28)
InChIKeyKYJKMHZXIOPMND-UHFFFAOYSA-N
MW437.88 g/mol
LogP5.16
Rot. Bonds6

About N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide

N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide (PubChem CID 2033052) has the molecular formula C23H20ClN3O4 and a molecular weight of 437.88 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide
PubChem CID2033052
Molecular FormulaC23H20ClN3O4
Molecular Weight437.88 g/mol
Exact Mass437.11
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc(OC)c1OC
InChIInChI=1S/C23H20ClN3O4/c1-29-19-11-14(12-20(30-2)21(19)31-3)23(28)27-18-10-13(8-9-15(18)24)22-25-16-6-4-5-7-17(16)26-22/h4-12H,1-3H3,(H,25,26)(H,27,28)
InChIKeyKYJKMHZXIOPMND-UHFFFAOYSA-N
XLogP5.16
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.88
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 1104078
N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-3,4,5-trimethoxybenzamide
CID 1492388
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3-iodobenzamide
CID 17116708
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide
CID 17093013
4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide
CID 100578035
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2-dimethylpropanamide
CID 17100751
N-[[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]carbamothioyl]-5-bromo-2-methoxybenzamide
CID 17114829
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 166180424
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-methylpropanamide;hydrochloride
CID 146052786
4-(1H-benzimidazol-2-yl)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 100578045
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]thiophene-2-carboxamide
CID 6457189
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-nitrobenzamide
CID 17093079

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide (CID 2033052) is N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc(OC)c1OC.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is KYJKMHZXIOPMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4/c1-29-19-11-14(12-20(30-2)21(19)31-3)23(28)27-18-10-13(8-9-15(18)24)22-25-16-6-4-5-7-17(16)26-22/h4-12H,1-3H3,(H,25,26)(H,27,28).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide?
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 437.88 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 2033052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).