1-cyclopentyl-N-(3-propan-2-yloxypropyl)benzimidazole-5-carboxamide

C19H27N3O2 — CID 5113632

IUPAC1-cyclopentyl-N-(3-propan-2-yloxypropyl)benzimidazole-5-carboxamide
SMILESCC(C)OCCCNC(=O)c1ccc2c(c1)ncn2C1CCCC1
InChIInChI=1S/C19H27N3O2/c1-14(2)24-11-5-10-20-19(23)15-8-9-18-17(12-15)21-13-22(18)16-6-3-4-7-16/h8-9,12-14,16H,3-7,10-11H2,1-2H3,(H,20,23)
InChIKeyPMGPKXLWWXQYPB-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.70
Rot. Bonds7

About 1-cyclopentyl-N-(3-propan-2-yloxypropyl)benzimidazole-5-carboxamide

1-cyclopentyl-N-(3-propan-2-yloxypropyl)benzimidazole-5-carboxamide (PubChem CID 5113632) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-cyclopentyl-N-(3-propan-2-yloxypropyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(3-propan-2-yloxypropyl)benzimidazole-5-carboxamide
PubChem CID5113632
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-cyclopentyl-N-(3-propan-2-yloxypropyl)benzimidazole-5-carboxamide
SMILESCC(C)OCCCNC(=O)c1ccc2c(c1)ncn2C1CCCC1
InChIInChI=1S/C19H27N3O2/c1-14(2)24-11-5-10-20-19(23)15-8-9-18-17(12-15)21-13-22(18)16-6-3-4-7-16/h8-9,12-14,16H,3-7,10-11H2,1-2H3,(H,20,23)
InChIKeyPMGPKXLWWXQYPB-UHFFFAOYSA-N
XLogP3.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.70
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-[(1-cyclohexylbenzimidazole-5-carbonyl)amino]ethyl-diethylazanium
CID 4581778
1-cyclohexyl-N-[(4-ethylphenyl)methyl]benzimidazole-5-carboxamide
CID 4583884
1-cyclohexyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
CID 3243473
2-cyclohexyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
CID 34375747
N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
CID 110485660
N-benzyl-1-cyclopentyl-N-methylbenzimidazole-5-carboxamide
CID 3658169
1-cyclopropyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 46976355
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
2-cyclohexyl-N-(3-methoxypropyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
CID 71842610
N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide
CID 110485437
(6aR)-6-oxo-N-(3-propan-2-yloxypropyl)-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide
CID 92726267
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(3-propan-2-yloxypropyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclopentyl-N-(3-propan-2-yloxypropyl)benzimidazole-5-carboxamide (CID 5113632) is 1-cyclopentyl-N-(3-propan-2-yloxypropyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-(3-propan-2-yloxypropyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-(3-propan-2-yloxypropyl)benzimidazole-5-carboxamide is CC(C)OCCCNC(=O)c1ccc2c(c1)ncn2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-(3-propan-2-yloxypropyl)benzimidazole-5-carboxamide?
The InChIKey is PMGPKXLWWXQYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(2)24-11-5-10-20-19(23)15-8-9-18-17(12-15)21-13-22(18)16-6-3-4-7-16/h8-9,12-14,16H,3-7,10-11H2,1-2H3,(H,20,23).
What are the key properties of 1-cyclopentyl-N-(3-propan-2-yloxypropyl)benzimidazole-5-carboxamide?
1-cyclopentyl-N-(3-propan-2-yloxypropyl)benzimidazole-5-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(3-propan-2-yloxypropyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 5113632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).