4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide

C26H26N4O3 — CID 20694879

IUPAC4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESCCCCC(=O)Nc1ccc2nc(-c3ccc(NC(=O)c4ccc(OC)cc4)cc3)[nH]c2c1
InChIInChI=1S/C26H26N4O3/c1-3-4-5-24(31)27-20-12-15-22-23(16-20)30-25(29-22)17-6-10-19(11-7-17)28-26(32)18-8-13-21(33-2)14-9-18/h6-16H,3-5H2,1-2H3,(H,27,31)(H,28,32)(H,29,30)
InChIKeyYIVPBYOPOGPJGL-UHFFFAOYSA-N
MW442.52 g/mol
LogP5.62
Rot. Bonds8

About 4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide

4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide (PubChem CID 20694879) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
PubChem CID20694879
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESCCCCC(=O)Nc1ccc2nc(-c3ccc(NC(=O)c4ccc(OC)cc4)cc3)[nH]c2c1
InChIInChI=1S/C26H26N4O3/c1-3-4-5-24(31)27-20-12-15-22-23(16-20)30-25(29-22)17-6-10-19(11-7-17)28-26(32)18-8-13-21(33-2)14-9-18/h6-16H,3-5H2,1-2H3,(H,27,31)(H,28,32)(H,29,30)
InChIKeyYIVPBYOPOGPJGL-UHFFFAOYSA-N
XLogP5.62
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 139827123
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;4-chloro-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide;4-phenyl-N-[4-[5-[(4-phenylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3,4,5-trimethoxy-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-1H-benzimidazol-5-yl]benzamide
CID 160967316
methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
CID 1144077
N-[4-[6-(methylamino)-1H-benzimidazol-2-yl]phenyl]hexanamide
CID 142813057
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-(1H-pyrrol-2-yl)benzamide
CID 71009349
1-(4-methoxyphenyl)-3-[4-[6-[(4-methoxyphenyl)carbamothioylamino]-1H-benzimidazol-2-yl]phenyl]thiourea
CID 2488329
methyl N-[4-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]carbamate
CID 155944894
4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 2832124
N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-4-(propanoylamino)benzamide
CID 17372812
N-(3-methoxyphenyl)-4-(pentanoylamino)benzamide
CID 3622603
[2-(4-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23744300

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide (CID 20694879) is 4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide is CCCCC(=O)Nc1ccc2nc(-c3ccc(NC(=O)c4ccc(OC)cc4)cc3)[nH]c2c1.
What is the InChIKey of 4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide?
The InChIKey is YIVPBYOPOGPJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-3-4-5-24(31)27-20-12-15-22-23(16-20)30-25(29-22)17-6-10-19(11-7-17)28-26(32)18-8-13-21(33-2)14-9-18/h6-16H,3-5H2,1-2H3,(H,27,31)(H,28,32)(H,29,30).
What are the key properties of 4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide?
4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide has a molecular weight of 442.52 g/mol, XLogP of 5.62, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 20694879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).