4-(1-cyclopropylbenzimidazol-2-yl)pentan-1-amine

C15H21N3 — CID 104683316

IUPAC4-(1-cyclopropylbenzimidazol-2-yl)pentan-1-amine
SMILESCC(CCCN)c1nc2ccccc2n1C1CC1
InChIInChI=1S/C15H21N3/c1-11(5-4-10-16)15-17-13-6-2-3-7-14(13)18(15)12-8-9-12/h2-3,6-7,11-12H,4-5,8-10,16H2,1H3
InChIKeyXYVHLSGNCFXELF-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.21
Rot. Bonds5

About 4-(1-cyclopropylbenzimidazol-2-yl)pentan-1-amine

4-(1-cyclopropylbenzimidazol-2-yl)pentan-1-amine (PubChem CID 104683316) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(1-cyclopropylbenzimidazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name4-(1-cyclopropylbenzimidazol-2-yl)pentan-1-amine
PubChem CID104683316
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-(1-cyclopropylbenzimidazol-2-yl)pentan-1-amine
SMILESCC(CCCN)c1nc2ccccc2n1C1CC1
InChIInChI=1S/C15H21N3/c1-11(5-4-10-16)15-17-13-6-2-3-7-14(13)18(15)12-8-9-12/h2-3,6-7,11-12H,4-5,8-10,16H2,1H3
InChIKeyXYVHLSGNCFXELF-UHFFFAOYSA-N
XLogP3.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)pentan-1-amine
CID 104683343
1-(1-cyclopropylbenzimidazol-2-yl)-2-methylbutan-1-amine
CID 43142729
4-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 104686988
2-(1-chloroethyl)-1-(1-ethylpiperidin-3-yl)benzimidazole
CID 61478078
2-(1-cyclopropyl-7-methylbenzimidazol-2-yl)propan-1-amine
CID 83858278
3-[2-(1-chloroethyl)benzimidazol-1-yl]thiolane 1,1-dioxide
CID 43666253
1-cyclopropyl-N-methylbenzimidazol-2-amine
CID 21043921
1-(1-cyclopropylbenzimidazol-2-yl)-N-methylmethanamine
CID 43142730
(1S,2R,4R)-4-(2-aminobenzimidazol-1-yl)cyclohexane-1,2-diol
CID 139447792
3-amino-1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-ol
CID 114006759
2-(1-chloroethyl)-1-(3,3-dimethylcyclopentyl)benzimidazole
CID 114548613
1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylbutan-1-amine
CID 115473211

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylbenzimidazol-2-yl)pentan-1-amine?
The IUPAC name of 4-(1-cyclopropylbenzimidazol-2-yl)pentan-1-amine (CID 104683316) is 4-(1-cyclopropylbenzimidazol-2-yl)pentan-1-amine.
What is the SMILES notation for 4-(1-cyclopropylbenzimidazol-2-yl)pentan-1-amine?
The canonical SMILES for 4-(1-cyclopropylbenzimidazol-2-yl)pentan-1-amine is CC(CCCN)c1nc2ccccc2n1C1CC1.
What is the InChIKey of 4-(1-cyclopropylbenzimidazol-2-yl)pentan-1-amine?
The InChIKey is XYVHLSGNCFXELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11(5-4-10-16)15-17-13-6-2-3-7-14(13)18(15)12-8-9-12/h2-3,6-7,11-12H,4-5,8-10,16H2,1H3.
What are the key properties of 4-(1-cyclopropylbenzimidazol-2-yl)pentan-1-amine?
4-(1-cyclopropylbenzimidazol-2-yl)pentan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylbenzimidazol-2-yl)pentan-1-amine is sourced from PubChem (CID 104683316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).