4-chloro-1-(3-cyclopentylpropyl)benzimidazol-2-amine

C15H20ClN3 — CID 106008029

IUPAC4-chloro-1-(3-cyclopentylpropyl)benzimidazol-2-amine
SMILESNc1nc2c(Cl)cccc2n1CCCC1CCCC1
InChIInChI=1S/C15H20ClN3/c16-12-8-3-9-13-14(12)18-15(17)19(13)10-4-7-11-5-1-2-6-11/h3,8-9,11H,1-2,4-7,10H2,(H2,17,18)
InChIKeyZJKOOPQMLYHTNS-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.24
Rot. Bonds4

About 4-chloro-1-(3-cyclopentylpropyl)benzimidazol-2-amine

4-chloro-1-(3-cyclopentylpropyl)benzimidazol-2-amine (PubChem CID 106008029) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 4-chloro-1-(3-cyclopentylpropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-1-(3-cyclopentylpropyl)benzimidazol-2-amine
PubChem CID106008029
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name4-chloro-1-(3-cyclopentylpropyl)benzimidazol-2-amine
SMILESNc1nc2c(Cl)cccc2n1CCCC1CCCC1
InChIInChI=1S/C15H20ClN3/c16-12-8-3-9-13-14(12)18-15(17)19(13)10-4-7-11-5-1-2-6-11/h3,8-9,11H,1-2,4-7,10H2,(H2,17,18)
InChIKeyZJKOOPQMLYHTNS-UHFFFAOYSA-N
XLogP4.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile
CID 106008009
1-(2-cyclohexylethyl)-4-fluorobenzimidazol-2-amine
CID 54932950
4-chloro-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816942
4-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine
CID 104837112
1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine
CID 106008021
3-(2-amino-4-chlorobenzimidazol-1-yl)propanoic acid
CID 84736899
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008445
4-chloro-1-[(1,1-dioxothiolan-2-yl)methyl]benzimidazol-2-amine
CID 104837221
4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 104837197
4-chloro-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 104837217
4-chloro-2-(2-chloroethyl)-1-(2-cyclopropylethyl)benzimidazole
CID 104838360
2-(1-chloroethyl)-1-(3-cyclopentylpropyl)-4-fluorobenzimidazole
CID 106005319

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-cyclopentylpropyl)benzimidazol-2-amine?
The IUPAC name of 4-chloro-1-(3-cyclopentylpropyl)benzimidazol-2-amine (CID 106008029) is 4-chloro-1-(3-cyclopentylpropyl)benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-1-(3-cyclopentylpropyl)benzimidazol-2-amine?
The canonical SMILES for 4-chloro-1-(3-cyclopentylpropyl)benzimidazol-2-amine is Nc1nc2c(Cl)cccc2n1CCCC1CCCC1.
What is the InChIKey of 4-chloro-1-(3-cyclopentylpropyl)benzimidazol-2-amine?
The InChIKey is ZJKOOPQMLYHTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c16-12-8-3-9-13-14(12)18-15(17)19(13)10-4-7-11-5-1-2-6-11/h3,8-9,11H,1-2,4-7,10H2,(H2,17,18).
What are the key properties of 4-chloro-1-(3-cyclopentylpropyl)benzimidazol-2-amine?
4-chloro-1-(3-cyclopentylpropyl)benzimidazol-2-amine has a molecular weight of 277.80 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3-cyclopentylpropyl)benzimidazol-2-amine is sourced from PubChem (CID 106008029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).