2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine

C13H17N3 — CID 63637024

IUPAC2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine
SMILESNCCc1nc2ccccc2n1CC1CC1
InChIInChI=1S/C13H17N3/c14-8-7-13-15-11-3-1-2-4-12(11)16(13)9-10-5-6-10/h1-4,10H,5-9,14H2
InChIKeyQZQHQZMQRWIGGO-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.95
Rot. Bonds4

About 2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine

2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine (PubChem CID 63637024) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine
PubChem CID63637024
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine
SMILESNCCc1nc2ccccc2n1CC1CC1
InChIInChI=1S/C13H17N3/c14-8-7-13-15-11-3-1-2-4-12(11)16(13)9-10-5-6-10/h1-4,10H,5-9,14H2
InChIKeyQZQHQZMQRWIGGO-UHFFFAOYSA-N
XLogP1.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloroethyl)-1-(oxan-4-ylmethyl)benzimidazole
CID 63713165
1-(piperidin-4-ylmethyl)-2-propylbenzimidazole
CID 82149668
1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole
CID 139007627
2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine
CID 55244547
3-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]propan-1-amine
CID 50877230
2-[1-[(4-ethylmorpholin-2-yl)methyl]benzimidazol-2-yl]ethanamine
CID 79171647
2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine
CID 55244357
(2S)-2-amino-4-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-hydroxybutanamide
CID 87751286
(2R)-2-amino-4-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-hydroxybutanamide
CID 87749531
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
1-(cyclopentylmethyl)-2-methylbenzimidazole
CID 112728278
1-(oxan-4-ylmethyl)benzimidazol-2-amine
CID 63712640

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine (CID 63637024) is 2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine is NCCc1nc2ccccc2n1CC1CC1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine?
The InChIKey is QZQHQZMQRWIGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c14-8-7-13-15-11-3-1-2-4-12(11)16(13)9-10-5-6-10/h1-4,10H,5-9,14H2.
What are the key properties of 2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine?
2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine has a molecular weight of 215.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 63637024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).