[1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)cyclopropyl]methanamine

C14H16BrN3 — CID 115450560

IUPAC[1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)cyclopropyl]methanamine
SMILESNCC1(c2nc3cc(Br)ccc3n2C2CC2)CC1
InChIInChI=1S/C14H16BrN3/c15-9-1-4-12-11(7-9)17-13(14(8-16)5-6-14)18(12)10-2-3-10/h1,4,7,10H,2-3,5-6,8,16H2
InChIKeyKEZWGJFUGOMNKB-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.12
Rot. Bonds3

About [1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)cyclopropyl]methanamine

[1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)cyclopropyl]methanamine (PubChem CID 115450560) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is [1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)cyclopropyl]methanamine
PubChem CID115450560
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name[1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)cyclopropyl]methanamine
SMILESNCC1(c2nc3cc(Br)ccc3n2C2CC2)CC1
InChIInChI=1S/C14H16BrN3/c15-9-1-4-12-11(7-9)17-13(14(8-16)5-6-14)18(12)10-2-3-10/h1,4,7,10H,2-3,5-6,8,16H2
InChIKeyKEZWGJFUGOMNKB-UHFFFAOYSA-N
XLogP3.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)cyclopropyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)cyclopropyl]methanamine (CID 115450560) is [1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)cyclopropyl]methanamine is NCC1(c2nc3cc(Br)ccc3n2C2CC2)CC1.
What is the InChIKey of [1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)cyclopropyl]methanamine?
The InChIKey is KEZWGJFUGOMNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c15-9-1-4-12-11(7-9)17-13(14(8-16)5-6-14)18(12)10-2-3-10/h1,4,7,10H,2-3,5-6,8,16H2.
What are the key properties of [1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)cyclopropyl]methanamine?
[1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)cyclopropyl]methanamine has a molecular weight of 306.21 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)cyclopropyl]methanamine is sourced from PubChem (CID 115450560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).