2-(cyclopentylmethyl)-1H-benzimidazol-4-amine

C13H17N3 — CID 63691018

IUPAC2-(cyclopentylmethyl)-1H-benzimidazol-4-amine
SMILESNc1cccc2[nH]c(CC3CCCC3)nc12
InChIInChI=1S/C13H17N3/c14-10-6-3-7-11-13(10)16-12(15-11)8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8,14H2,(H,15,16)
InChIKeyGTLJRYYSVKOWDA-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.88
Rot. Bonds2

About 2-(cyclopentylmethyl)-1H-benzimidazol-4-amine

2-(cyclopentylmethyl)-1H-benzimidazol-4-amine (PubChem CID 63691018) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-1H-benzimidazol-4-amine
PubChem CID63691018
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-(cyclopentylmethyl)-1H-benzimidazol-4-amine
SMILESNc1cccc2[nH]c(CC3CCCC3)nc12
InChIInChI=1S/C13H17N3/c14-10-6-3-7-11-13(10)16-12(15-11)8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8,14H2,(H,15,16)
InChIKeyGTLJRYYSVKOWDA-UHFFFAOYSA-N
XLogP2.88
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-1H-benzimidazol-4-amine?
The IUPAC name of 2-(cyclopentylmethyl)-1H-benzimidazol-4-amine (CID 63691018) is 2-(cyclopentylmethyl)-1H-benzimidazol-4-amine.
What is the SMILES notation for 2-(cyclopentylmethyl)-1H-benzimidazol-4-amine?
The canonical SMILES for 2-(cyclopentylmethyl)-1H-benzimidazol-4-amine is Nc1cccc2[nH]c(CC3CCCC3)nc12.
What is the InChIKey of 2-(cyclopentylmethyl)-1H-benzimidazol-4-amine?
The InChIKey is GTLJRYYSVKOWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c14-10-6-3-7-11-13(10)16-12(15-11)8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8,14H2,(H,15,16).
What are the key properties of 2-(cyclopentylmethyl)-1H-benzimidazol-4-amine?
2-(cyclopentylmethyl)-1H-benzimidazol-4-amine has a molecular weight of 215.30 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-1H-benzimidazol-4-amine is sourced from PubChem (CID 63691018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).