4-methyl-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-pyrrol-1-ylpentanamide

C23H32N4O — CID 121239237

IUPAC4-methyl-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-pyrrol-1-ylpentanamide
SMILESCC(C)CC(C(=O)NCCCCCc1nc2ccccc2n1C)n1cccc1
InChIInChI=1S/C23H32N4O/c1-18(2)17-21(27-15-9-10-16-27)23(28)24-14-8-4-5-13-22-25-19-11-6-7-12-20(19)26(22)3/h6-7,9-12,15-16,18,21H,4-5,8,13-14,17H2,1-3H3,(H,24,28)
InChIKeyGNBYYBFFUNHMIB-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.49
Rot. Bonds10

About 4-methyl-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-pyrrol-1-ylpentanamide

4-methyl-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-pyrrol-1-ylpentanamide (PubChem CID 121239237) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 4-methyl-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-pyrrol-1-ylpentanamide.

Molecular Properties

Compound Name4-methyl-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-pyrrol-1-ylpentanamide
PubChem CID121239237
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name4-methyl-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-pyrrol-1-ylpentanamide
SMILESCC(C)CC(C(=O)NCCCCCc1nc2ccccc2n1C)n1cccc1
InChIInChI=1S/C23H32N4O/c1-18(2)17-21(27-15-9-10-16-27)23(28)24-14-8-4-5-13-22-25-19-11-6-7-12-20(19)26(22)3/h6-7,9-12,15-16,18,21H,4-5,8,13-14,17H2,1-3H3,(H,24,28)
InChIKeyGNBYYBFFUNHMIB-UHFFFAOYSA-N
XLogP4.49
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide
CID 16993642
(2S)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-pyrrolidin-1-ylbutanamide
CID 124756311
4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 79750722
(2R)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 124864581
2-(4-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide
CID 16993804
N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
CID 121240297
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
3-amino-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119889914
1-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 50970727
N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide
CID 56792616
N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide
CID 16988638
propan-2-yl 2-[2-[5-(2-methylpropanoylamino)pentyl]benzimidazol-1-yl]acetate
CID 16988772

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-pyrrol-1-ylpentanamide?
The IUPAC name of 4-methyl-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-pyrrol-1-ylpentanamide (CID 121239237) is 4-methyl-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-pyrrol-1-ylpentanamide.
What is the SMILES notation for 4-methyl-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-pyrrol-1-ylpentanamide?
The canonical SMILES for 4-methyl-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-pyrrol-1-ylpentanamide is CC(C)CC(C(=O)NCCCCCc1nc2ccccc2n1C)n1cccc1.
What is the InChIKey of 4-methyl-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-pyrrol-1-ylpentanamide?
The InChIKey is GNBYYBFFUNHMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-18(2)17-21(27-15-9-10-16-27)23(28)24-14-8-4-5-13-22-25-19-11-6-7-12-20(19)26(22)3/h6-7,9-12,15-16,18,21H,4-5,8,13-14,17H2,1-3H3,(H,24,28).
What are the key properties of 4-methyl-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-pyrrol-1-ylpentanamide?
4-methyl-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-pyrrol-1-ylpentanamide has a molecular weight of 380.54 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-pyrrol-1-ylpentanamide is sourced from PubChem (CID 121239237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).