N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-(1H-pyrrol-2-yl)benzamide

C25H20N4O2 — CID 71009349

IUPACN-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-(1H-pyrrol-2-yl)benzamide
SMILESCOc1ccc(-c2nc3ccc(NC(=O)c4ccc(-c5ccc[nH]5)cc4)cc3[nH]2)cc1
InChIInChI=1S/C25H20N4O2/c1-31-20-11-8-17(9-12-20)24-28-22-13-10-19(15-23(22)29-24)27-25(30)18-6-4-16(5-7-18)21-3-2-14-26-21/h2-15,26H,1H3,(H,27,30)(H,28,29)
InChIKeyCLBOORLPSPJOQO-UHFFFAOYSA-N
MW408.46 g/mol
LogP5.49
Rot. Bonds5

About N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-(1H-pyrrol-2-yl)benzamide

N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-(1H-pyrrol-2-yl)benzamide (PubChem CID 71009349) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-(1H-pyrrol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-(1H-pyrrol-2-yl)benzamide
PubChem CID71009349
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC NameN-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-(1H-pyrrol-2-yl)benzamide
SMILESCOc1ccc(-c2nc3ccc(NC(=O)c4ccc(-c5ccc[nH]5)cc4)cc3[nH]2)cc1
InChIInChI=1S/C25H20N4O2/c1-31-20-11-8-17(9-12-20)24-28-22-13-10-19(15-23(22)29-24)27-25(30)18-6-4-16(5-7-18)21-3-2-14-26-21/h2-15,26H,1H3,(H,27,30)(H,28,29)
InChIKeyCLBOORLPSPJOQO-UHFFFAOYSA-N
XLogP5.49
TPSA82.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
CID 1144077
4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694879
4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 139827123
N-(1H-indol-6-yl)-4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]benzamide
CID 67686907
methyl N-[4-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]carbamate
CID 155944894
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665
methyl 2-[[2-[4-(1H-indol-6-ylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]oxy]acetate
CID 67687248
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
methyl 4-[[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoate
CID 3568302
1-(4-methoxyphenyl)-3-[4-[6-[(4-methoxyphenyl)carbamothioylamino]-1H-benzimidazol-2-yl]phenyl]thiourea
CID 2488329
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-(1H-pyrrol-2-yl)benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-(1H-pyrrol-2-yl)benzamide (CID 71009349) is N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-(1H-pyrrol-2-yl)benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-(1H-pyrrol-2-yl)benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-(1H-pyrrol-2-yl)benzamide is COc1ccc(-c2nc3ccc(NC(=O)c4ccc(-c5ccc[nH]5)cc4)cc3[nH]2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-(1H-pyrrol-2-yl)benzamide?
The InChIKey is CLBOORLPSPJOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-31-20-11-8-17(9-12-20)24-28-22-13-10-19(15-23(22)29-24)27-25(30)18-6-4-16(5-7-18)21-3-2-14-26-21/h2-15,26H,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-(1H-pyrrol-2-yl)benzamide?
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-(1H-pyrrol-2-yl)benzamide has a molecular weight of 408.46 g/mol, XLogP of 5.49, 5 rotatable bonds, 3 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]-4-(1H-pyrrol-2-yl)benzamide is sourced from PubChem (CID 71009349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).