1-[(2,3-dimethylbenzimidazol-4-yl)methyl]cyclopropan-1-amine

C13H17N3 — CID 117307071

IUPAC1-[(2,3-dimethylbenzimidazol-4-yl)methyl]cyclopropan-1-amine
SMILESCc1nc2cccc(CC3(N)CC3)c2n1C
InChIInChI=1S/C13H17N3/c1-9-15-11-5-3-4-10(12(11)16(9)2)8-13(14)6-7-13/h3-5H,6-8,14H2,1-2H3
InChIKeyAVAQUBDMGIQOEZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.92
Rot. Bonds2

About 1-[(2,3-dimethylbenzimidazol-4-yl)methyl]cyclopropan-1-amine

1-[(2,3-dimethylbenzimidazol-4-yl)methyl]cyclopropan-1-amine (PubChem CID 117307071) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-[(2,3-dimethylbenzimidazol-4-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2,3-dimethylbenzimidazol-4-yl)methyl]cyclopropan-1-amine
PubChem CID117307071
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-[(2,3-dimethylbenzimidazol-4-yl)methyl]cyclopropan-1-amine
SMILESCc1nc2cccc(CC3(N)CC3)c2n1C
InChIInChI=1S/C13H17N3/c1-9-15-11-5-3-4-10(12(11)16(9)2)8-13(14)6-7-13/h3-5H,6-8,14H2,1-2H3
InChIKeyAVAQUBDMGIQOEZ-UHFFFAOYSA-N
XLogP1.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethylbenzimidazol-4-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2,3-dimethylbenzimidazol-4-yl)methyl]cyclopropan-1-amine (CID 117307071) is 1-[(2,3-dimethylbenzimidazol-4-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2,3-dimethylbenzimidazol-4-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2,3-dimethylbenzimidazol-4-yl)methyl]cyclopropan-1-amine is Cc1nc2cccc(CC3(N)CC3)c2n1C.
What is the InChIKey of 1-[(2,3-dimethylbenzimidazol-4-yl)methyl]cyclopropan-1-amine?
The InChIKey is AVAQUBDMGIQOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9-15-11-5-3-4-10(12(11)16(9)2)8-13(14)6-7-13/h3-5H,6-8,14H2,1-2H3.
What are the key properties of 1-[(2,3-dimethylbenzimidazol-4-yl)methyl]cyclopropan-1-amine?
1-[(2,3-dimethylbenzimidazol-4-yl)methyl]cyclopropan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethylbenzimidazol-4-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117307071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).