N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide

C21H17N3O2 — CID 40617579

IUPACN-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
SMILESCOc1ccc(-c2nc3ccc(NC(=O)c4ccccc4)cc3[nH]2)cc1
InChIInChI=1S/C21H17N3O2/c1-26-17-10-7-14(8-11-17)20-23-18-12-9-16(13-19(18)24-20)22-21(25)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,25)(H,23,24)
InChIKeyXMAOPBYRWQHENV-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.49
Rot. Bonds4

About N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide

N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide (PubChem CID 40617579) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
PubChem CID40617579
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
SMILESCOc1ccc(-c2nc3ccc(NC(=O)c4ccccc4)cc3[nH]2)cc1
InChIInChI=1S/C21H17N3O2/c1-26-17-10-7-14(8-11-17)20-23-18-12-9-16(13-19(18)24-20)22-21(25)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,25)(H,23,24)
InChIKeyXMAOPBYRWQHENV-UHFFFAOYSA-N
XLogP4.49
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-(1H-pyrrol-2-yl)benzamide
CID 71009349
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
CID 1144077
4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 139827123
4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694879
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943
N-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 168608096
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
5-methoxy-N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44527043
4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 2832124
methyl N-[4-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]carbamate
CID 155944894
1-(4-methoxyphenyl)-3-[4-[6-[(4-methoxyphenyl)carbamothioylamino]-1H-benzimidazol-2-yl]phenyl]thiourea
CID 2488329

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide (CID 40617579) is N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide is COc1ccc(-c2nc3ccc(NC(=O)c4ccccc4)cc3[nH]2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide?
The InChIKey is XMAOPBYRWQHENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-26-17-10-7-14(8-11-17)20-23-18-12-9-16(13-19(18)24-20)22-21(25)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide?
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide has a molecular weight of 343.39 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 40617579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).