N-[5-[1-(1-phenylethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide

C24H29N3O — CID 16989127

IUPACN-[5-[1-(1-phenylethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
SMILESCC(c1ccccc1)n1c(CCCCCNC(=O)C2CC2)nc2ccccc21
InChIInChI=1S/C24H29N3O/c1-18(19-10-4-2-5-11-19)27-22-13-8-7-12-21(22)26-23(27)14-6-3-9-17-25-24(28)20-15-16-20/h2,4-5,7-8,10-13,18,20H,3,6,9,14-17H2,1H3,(H,25,28)
InChIKeyBXLKFWZNDXCPOU-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.88
Rot. Bonds9

About N-[5-[1-(1-phenylethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide

N-[5-[1-(1-phenylethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide (PubChem CID 16989127) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[5-[1-(1-phenylethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[1-(1-phenylethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
PubChem CID16989127
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-[5-[1-(1-phenylethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
SMILESCC(c1ccccc1)n1c(CCCCCNC(=O)C2CC2)nc2ccccc21
InChIInChI=1S/C24H29N3O/c1-18(19-10-4-2-5-11-19)27-22-13-8-7-12-21(22)26-23(27)14-6-3-9-17-25-24(28)20-15-16-20/h2,4-5,7-8,10-13,18,20H,3,6,9,14-17H2,1H3,(H,25,28)
InChIKeyBXLKFWZNDXCPOU-UHFFFAOYSA-N
XLogP4.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[5-[1-(1-phenylethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 40639636
2-methyl-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986880
4-chloro-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]benzamide
CID 16984574
N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16988953
N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide
CID 16988943
N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989110
N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982056
N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981622
N-[3-(1-heptylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981619
2-(4-chlorophenoxy)-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]acetamide
CID 16986394
3-amino-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 119888825
methyl 2-[2-[5-(cyclohexanecarbonylamino)pentyl]benzimidazol-1-yl]acetate
CID 16989094

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(1-phenylethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[1-(1-phenylethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide (CID 16989127) is N-[5-[1-(1-phenylethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[1-(1-phenylethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[1-(1-phenylethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide is CC(c1ccccc1)n1c(CCCCCNC(=O)C2CC2)nc2ccccc21.
What is the InChIKey of N-[5-[1-(1-phenylethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide?
The InChIKey is BXLKFWZNDXCPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-18(19-10-4-2-5-11-19)27-22-13-8-7-12-21(22)26-23(27)14-6-3-9-17-25-24(28)20-15-16-20/h2,4-5,7-8,10-13,18,20H,3,6,9,14-17H2,1H3,(H,25,28).
What are the key properties of N-[5-[1-(1-phenylethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide?
N-[5-[1-(1-phenylethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide has a molecular weight of 375.52 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(1-phenylethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide is sourced from PubChem (CID 16989127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).