N-(1H-benzimidazol-4-yl)-4-pyrrol-1-ylbutanamide

C15H16N4O — CID 71845450

IUPACN-(1H-benzimidazol-4-yl)-4-pyrrol-1-ylbutanamide
SMILESO=C(CCCn1cccc1)Nc1cccc2[nH]cnc12
InChIInChI=1S/C15H16N4O/c20-14(7-4-10-19-8-1-2-9-19)18-13-6-3-5-12-15(13)17-11-16-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,16,17)(H,18,20)
InChIKeyOZZHDALQGGUHBR-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.78
Rot. Bonds5

About N-(1H-benzimidazol-4-yl)-4-pyrrol-1-ylbutanamide

N-(1H-benzimidazol-4-yl)-4-pyrrol-1-ylbutanamide (PubChem CID 71845450) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(1H-benzimidazol-4-yl)-4-pyrrol-1-ylbutanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-4-yl)-4-pyrrol-1-ylbutanamide
PubChem CID71845450
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-(1H-benzimidazol-4-yl)-4-pyrrol-1-ylbutanamide
SMILESO=C(CCCn1cccc1)Nc1cccc2[nH]cnc12
InChIInChI=1S/C15H16N4O/c20-14(7-4-10-19-8-1-2-9-19)18-13-6-3-5-12-15(13)17-11-16-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,16,17)(H,18,20)
InChIKeyOZZHDALQGGUHBR-UHFFFAOYSA-N
XLogP2.78
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 127254670
N-[2-(1H-benzimidazol-4-ylamino)-2-oxoethyl]-2-chlorobenzamide
CID 56793324
N-(3H-imidazo[4,5-c]pyridin-7-yl)hexanamide
CID 76849428
ethyl N-[1-[2-(1H-benzimidazol-4-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112523159
6-(1H-indazol-4-ylamino)-6-oxohexanoic acid
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4-(6-oxopyridazin-1-yl)-N-quinolin-8-ylbutanamide
CID 132575924
4-chloro-N-(1H-indazol-4-yl)butanamide
CID 63307555
1-(1H-benzimidazol-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 143208150
4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide
CID 79200496
N-(2-bromo-6-methoxyphenyl)-4-pyrrol-1-ylbutanamide
CID 122140386
4-hydroxy-N-(1H-indol-3-yl)butanamide
CID 115162786
N-[2-(aminomethyl)phenyl]-4-(2-oxopyrimidin-1-yl)butanamide
CID 16788872

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-4-yl)-4-pyrrol-1-ylbutanamide?
The IUPAC name of N-(1H-benzimidazol-4-yl)-4-pyrrol-1-ylbutanamide (CID 71845450) is N-(1H-benzimidazol-4-yl)-4-pyrrol-1-ylbutanamide.
What is the SMILES notation for N-(1H-benzimidazol-4-yl)-4-pyrrol-1-ylbutanamide?
The canonical SMILES for N-(1H-benzimidazol-4-yl)-4-pyrrol-1-ylbutanamide is O=C(CCCn1cccc1)Nc1cccc2[nH]cnc12.
What is the InChIKey of N-(1H-benzimidazol-4-yl)-4-pyrrol-1-ylbutanamide?
The InChIKey is OZZHDALQGGUHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c20-14(7-4-10-19-8-1-2-9-19)18-13-6-3-5-12-15(13)17-11-16-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,16,17)(H,18,20).
What are the key properties of N-(1H-benzimidazol-4-yl)-4-pyrrol-1-ylbutanamide?
N-(1H-benzimidazol-4-yl)-4-pyrrol-1-ylbutanamide has a molecular weight of 268.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-4-yl)-4-pyrrol-1-ylbutanamide is sourced from PubChem (CID 71845450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).