2-(1-cyclopropyl-7-methylbenzimidazol-2-yl)propan-1-amine

C14H19N3 — CID 83858278

IUPAC2-(1-cyclopropyl-7-methylbenzimidazol-2-yl)propan-1-amine
SMILESCc1cccc2nc(C(C)CN)n(C3CC3)c12
InChIInChI=1S/C14H19N3/c1-9-4-3-5-12-13(9)17(11-6-7-11)14(16-12)10(2)8-15/h3-5,10-11H,6-8,15H2,1-2H3
InChIKeyWMPBFNAJFLHICB-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.74
Rot. Bonds3

About 2-(1-cyclopropyl-7-methylbenzimidazol-2-yl)propan-1-amine

2-(1-cyclopropyl-7-methylbenzimidazol-2-yl)propan-1-amine (PubChem CID 83858278) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-(1-cyclopropyl-7-methylbenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(1-cyclopropyl-7-methylbenzimidazol-2-yl)propan-1-amine
PubChem CID83858278
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-(1-cyclopropyl-7-methylbenzimidazol-2-yl)propan-1-amine
SMILESCc1cccc2nc(C(C)CN)n(C3CC3)c12
InChIInChI=1S/C14H19N3/c1-9-4-3-5-12-13(9)17(11-6-7-11)14(16-12)10(2)8-15/h3-5,10-11H,6-8,15H2,1-2H3
InChIKeyWMPBFNAJFLHICB-UHFFFAOYSA-N
XLogP2.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-7-methylbenzimidazol-2-yl)propan-1-amine?
The IUPAC name of 2-(1-cyclopropyl-7-methylbenzimidazol-2-yl)propan-1-amine (CID 83858278) is 2-(1-cyclopropyl-7-methylbenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 2-(1-cyclopropyl-7-methylbenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 2-(1-cyclopropyl-7-methylbenzimidazol-2-yl)propan-1-amine is Cc1cccc2nc(C(C)CN)n(C3CC3)c12.
What is the InChIKey of 2-(1-cyclopropyl-7-methylbenzimidazol-2-yl)propan-1-amine?
The InChIKey is WMPBFNAJFLHICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-9-4-3-5-12-13(9)17(11-6-7-11)14(16-12)10(2)8-15/h3-5,10-11H,6-8,15H2,1-2H3.
What are the key properties of 2-(1-cyclopropyl-7-methylbenzimidazol-2-yl)propan-1-amine?
2-(1-cyclopropyl-7-methylbenzimidazol-2-yl)propan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-7-methylbenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 83858278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).