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

C23H20ClN3O4 — CID 2032313

IUPACN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc(OC)c1OC
InChIInChI=1S/C23H20ClN3O4/c1-29-19-10-13(11-20(30-2)21(19)31-3)23(28)25-14-8-9-16(24)15(12-14)22-26-17-6-4-5-7-18(17)27-22/h4-12H,1-3H3,(H,25,28)(H,26,27)
InChIKeyWPVPAGJUOPBMCZ-UHFFFAOYSA-N
MW437.88 g/mol
LogP5.16
Rot. Bonds6

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

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-trimethoxybenzamide (PubChem CID 2032313) has the molecular formula C23H20ClN3O4 and a molecular weight of 437.88 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-trimethoxybenzamide
PubChem CID2032313
Molecular FormulaC23H20ClN3O4
Molecular Weight437.88 g/mol
Exact Mass437.11
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc(OC)c1OC
InChIInChI=1S/C23H20ClN3O4/c1-29-19-10-13(11-20(30-2)21(19)31-3)23(28)25-14-8-9-16(24)15(12-14)22-26-17-6-4-5-7-18(17)27-22/h4-12H,1-3H3,(H,25,28)(H,26,27)
InChIKeyWPVPAGJUOPBMCZ-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

Sant-2
CID 1367095
N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 44565645
N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide
CID 751094
N-(4-(1H-benzo[d]imidazol-2-yl)phenyl)-3,4,5-triethoxybenzamide
CID 1112713
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-1,3-benzodioxole-5-carboxamide
CID 1090030
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 1104078
N-(4-(1H-benzo[d]imidazol-2-yl)phenyl)-3,4,5-trimethoxybenzamide
CID 1104079
3,4-dimethoxy-N-[4-(5-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 1262390
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide
CID 2208803
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2880709
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide
CID 5343894
HhAntag
CID 9911630

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-trimethoxybenzamide (CID 2032313) is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc(OC)c1OC.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is WPVPAGJUOPBMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4/c1-29-19-10-13(11-20(30-2)21(19)31-3)23(28)25-14-8-9-16(24)15(12-14)22-26-17-6-4-5-7-18(17)27-22/h4-12H,1-3H3,(H,25,28)(H,26,27).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-trimethoxybenzamide?
N-[3-(1H-benzimidazol-2-yl)-4-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-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 2032313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).