2-(2-pentylbenzimidazol-1-yl)-N-phenyl-N-propan-2-ylacetamide

C23H29N3O — CID 3279039

IUPAC2-(2-pentylbenzimidazol-1-yl)-N-phenyl-N-propan-2-ylacetamide
SMILESCCCCCc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C23H29N3O/c1-4-5-7-16-22-24-20-14-10-11-15-21(20)25(22)17-23(27)26(18(2)3)19-12-8-6-9-13-19/h6,8-15,18H,4-5,7,16-17H2,1-3H3
InChIKeyXXBFMEGGIIIOTP-UHFFFAOYSA-N
MW363.50 g/mol
LogP5.21
Rot. Bonds8

About 2-(2-pentylbenzimidazol-1-yl)-N-phenyl-N-propan-2-ylacetamide

2-(2-pentylbenzimidazol-1-yl)-N-phenyl-N-propan-2-ylacetamide (PubChem CID 3279039) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-(2-pentylbenzimidazol-1-yl)-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-pentylbenzimidazol-1-yl)-N-phenyl-N-propan-2-ylacetamide
PubChem CID3279039
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name2-(2-pentylbenzimidazol-1-yl)-N-phenyl-N-propan-2-ylacetamide
SMILESCCCCCc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C23H29N3O/c1-4-5-7-16-22-24-20-14-10-11-15-21(20)25(22)17-23(27)26(18(2)3)19-12-8-6-9-13-19/h6,8-15,18H,4-5,7,16-17H2,1-3H3
InChIKeyXXBFMEGGIIIOTP-UHFFFAOYSA-N
XLogP5.21
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[5-[(2-methoxyacetyl)amino]pentyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 16988433
N-[5-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994913
2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 16996200
2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 17006636
N-phenyl-N-propan-2-yl-2-[2-[(4-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 16998698
2-(2-methylphenyl)-N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979203
2-[2-[5-[[2-(2,5-dimethylphenoxy)acetyl]amino]pentyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 16993131
N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide
CID 19243040
2-[2-(3-hydroxypropyl)benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 16995539
2-nonyl-1-undecylbenzimidazole
CID 139787757
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-(2-butylbenzimidazol-1-yl)-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 5089305

Frequently Asked Questions

What is the IUPAC name of 2-(2-pentylbenzimidazol-1-yl)-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-pentylbenzimidazol-1-yl)-N-phenyl-N-propan-2-ylacetamide (CID 3279039) is 2-(2-pentylbenzimidazol-1-yl)-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-pentylbenzimidazol-1-yl)-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-pentylbenzimidazol-1-yl)-N-phenyl-N-propan-2-ylacetamide is CCCCCc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C.
What is the InChIKey of 2-(2-pentylbenzimidazol-1-yl)-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is XXBFMEGGIIIOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-4-5-7-16-22-24-20-14-10-11-15-21(20)25(22)17-23(27)26(18(2)3)19-12-8-6-9-13-19/h6,8-15,18H,4-5,7,16-17H2,1-3H3.
What are the key properties of 2-(2-pentylbenzimidazol-1-yl)-N-phenyl-N-propan-2-ylacetamide?
2-(2-pentylbenzimidazol-1-yl)-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 363.50 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pentylbenzimidazol-1-yl)-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 3279039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).