N-(1-methylbenzimidazol-2-yl)-4-phenoxybenzamide

C21H17N3O2 — CID 72725713

IUPACN-(1-methylbenzimidazol-2-yl)-4-phenoxybenzamide
SMILESCn1c(NC(=O)c2ccc(Oc3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C21H17N3O2/c1-24-19-10-6-5-9-18(19)22-21(24)23-20(25)15-11-13-17(14-12-15)26-16-7-3-2-4-8-16/h2-14H,1H3,(H,22,23,25)
InChIKeyUFQKXBXZWVYERJ-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.62
Rot. Bonds4

About N-(1-methylbenzimidazol-2-yl)-4-phenoxybenzamide

N-(1-methylbenzimidazol-2-yl)-4-phenoxybenzamide (PubChem CID 72725713) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(1-methylbenzimidazol-2-yl)-4-phenoxybenzamide.

Molecular Properties

Compound NameN-(1-methylbenzimidazol-2-yl)-4-phenoxybenzamide
PubChem CID72725713
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-(1-methylbenzimidazol-2-yl)-4-phenoxybenzamide
SMILESCn1c(NC(=O)c2ccc(Oc3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C21H17N3O2/c1-24-19-10-6-5-9-18(19)22-21(24)23-20(25)15-11-13-17(14-12-15)26-16-7-3-2-4-8-16/h2-14H,1H3,(H,22,23,25)
InChIKeyUFQKXBXZWVYERJ-UHFFFAOYSA-N
XLogP4.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)urea
CID 35280532
N-(1,6-dimethylbenzimidazol-2-yl)benzamide
CID 12035464
3-amino-N-(1-methylbenzimidazol-2-yl)benzamide
CID 110474422
3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide
CID 139382529
4-(4-acetylphenoxy)-N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide
CID 166377017
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
3-cyano-N-(1-methylbenzimidazol-2-yl)benzamide
CID 35280472
1-methyl-N-(1-methylbenzimidazol-2-yl)triazole-4-carboxamide
CID 110471540
4-chloro-N-(1-methylbenzimidazol-2-yl)-3-nitrobenzamide
CID 5175893
N-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide
CID 3744978
2,5-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 19481245
2,4-dimethyl-N-(1-methylbenzimidazol-2-yl)-1,3-oxazole-5-carboxamide
CID 10333328

Frequently Asked Questions

What is the IUPAC name of N-(1-methylbenzimidazol-2-yl)-4-phenoxybenzamide?
The IUPAC name of N-(1-methylbenzimidazol-2-yl)-4-phenoxybenzamide (CID 72725713) is N-(1-methylbenzimidazol-2-yl)-4-phenoxybenzamide.
What is the SMILES notation for N-(1-methylbenzimidazol-2-yl)-4-phenoxybenzamide?
The canonical SMILES for N-(1-methylbenzimidazol-2-yl)-4-phenoxybenzamide is Cn1c(NC(=O)c2ccc(Oc3ccccc3)cc2)nc2ccccc21.
What is the InChIKey of N-(1-methylbenzimidazol-2-yl)-4-phenoxybenzamide?
The InChIKey is UFQKXBXZWVYERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-24-19-10-6-5-9-18(19)22-21(24)23-20(25)15-11-13-17(14-12-15)26-16-7-3-2-4-8-16/h2-14H,1H3,(H,22,23,25).
What are the key properties of N-(1-methylbenzimidazol-2-yl)-4-phenoxybenzamide?
N-(1-methylbenzimidazol-2-yl)-4-phenoxybenzamide has a molecular weight of 343.39 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylbenzimidazol-2-yl)-4-phenoxybenzamide is sourced from PubChem (CID 72725713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).