2-(4-chloro-1H-benzimidazol-2-yl)-2-methylcyclopentan-1-amine

C13H16ClN3 — CID 82763076

IUPAC2-(4-chloro-1H-benzimidazol-2-yl)-2-methylcyclopentan-1-amine
SMILESCC1(c2nc3c(Cl)cccc3[nH]2)CCCC1N
InChIInChI=1S/C13H16ClN3/c1-13(7-3-6-10(13)15)12-16-9-5-2-4-8(14)11(9)17-12/h2,4-5,10H,3,6-7,15H2,1H3,(H,16,17)
InChIKeyMLDTZMSNQKOSHK-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.99
Rot. Bonds1

About 2-(4-chloro-1H-benzimidazol-2-yl)-2-methylcyclopentan-1-amine

2-(4-chloro-1H-benzimidazol-2-yl)-2-methylcyclopentan-1-amine (PubChem CID 82763076) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 2-(4-chloro-1H-benzimidazol-2-yl)-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-1H-benzimidazol-2-yl)-2-methylcyclopentan-1-amine
PubChem CID82763076
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name2-(4-chloro-1H-benzimidazol-2-yl)-2-methylcyclopentan-1-amine
SMILESCC1(c2nc3c(Cl)cccc3[nH]2)CCCC1N
InChIInChI=1S/C13H16ClN3/c1-13(7-3-6-10(13)15)12-16-9-5-2-4-8(14)11(9)17-12/h2,4-5,10H,3,6-7,15H2,1H3,(H,16,17)
InChIKeyMLDTZMSNQKOSHK-UHFFFAOYSA-N
XLogP2.99
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1H-benzimidazol-2-yl)-2-methylcyclopentan-1-amine?
The IUPAC name of 2-(4-chloro-1H-benzimidazol-2-yl)-2-methylcyclopentan-1-amine (CID 82763076) is 2-(4-chloro-1H-benzimidazol-2-yl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for 2-(4-chloro-1H-benzimidazol-2-yl)-2-methylcyclopentan-1-amine?
The canonical SMILES for 2-(4-chloro-1H-benzimidazol-2-yl)-2-methylcyclopentan-1-amine is CC1(c2nc3c(Cl)cccc3[nH]2)CCCC1N.
What is the InChIKey of 2-(4-chloro-1H-benzimidazol-2-yl)-2-methylcyclopentan-1-amine?
The InChIKey is MLDTZMSNQKOSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-13(7-3-6-10(13)15)12-16-9-5-2-4-8(14)11(9)17-12/h2,4-5,10H,3,6-7,15H2,1H3,(H,16,17).
What are the key properties of 2-(4-chloro-1H-benzimidazol-2-yl)-2-methylcyclopentan-1-amine?
2-(4-chloro-1H-benzimidazol-2-yl)-2-methylcyclopentan-1-amine has a molecular weight of 249.74 g/mol, XLogP of 2.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1H-benzimidazol-2-yl)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 82763076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).