N-[2-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide

C21H17N3O3 — CID 118867964

IUPACN-[2-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2-n2cnc3ccccc32)ccc1O
InChIInChI=1S/C21H17N3O3/c1-27-20-12-14(10-11-19(20)25)21(26)23-16-7-3-5-9-18(16)24-13-22-15-6-2-4-8-17(15)24/h2-13,25H,1H3,(H,23,26)
InChIKeyKXMGKTZXRMVXLC-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.99
Rot. Bonds4

About N-[2-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide

N-[2-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide (PubChem CID 118867964) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide
PubChem CID118867964
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC NameN-[2-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2-n2cnc3ccccc32)ccc1O
InChIInChI=1S/C21H17N3O3/c1-27-20-12-14(10-11-19(20)25)21(26)23-16-7-3-5-9-18(16)24-13-22-15-6-2-4-8-17(15)24/h2-13,25H,1H3,(H,23,26)
InChIKeyKXMGKTZXRMVXLC-UHFFFAOYSA-N
XLogP3.99
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 17434692
methyl 3-[[4-(benzimidazol-1-yl)benzoyl]amino]-2-hydroxybenzoate
CID 56576163
N-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39342674
N-(2,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39331968
4-(benzimidazol-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 55692127
3-hydroxy-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 79600198
methyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate
CID 87037290
4-(benzimidazol-1-yl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]benzamide
CID 55932965
N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39341853
N-[4-(benzimidazol-1-yl)phenyl]-2-methoxybenzamide
CID 46692672
N-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide
CID 29261071
N-[2-methoxy-5-(methylcarbamoyl)phenyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
CID 176503428

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide?
The IUPAC name of N-[2-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide (CID 118867964) is N-[2-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-[2-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide is COc1cc(C(=O)Nc2ccccc2-n2cnc3ccccc32)ccc1O.
What is the InChIKey of N-[2-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide?
The InChIKey is KXMGKTZXRMVXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-27-20-12-14(10-11-19(20)25)21(26)23-16-7-3-5-9-18(16)24-13-22-15-6-2-4-8-17(15)24/h2-13,25H,1H3,(H,23,26).
What are the key properties of N-[2-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide?
N-[2-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide has a molecular weight of 359.39 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 118867964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).