[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenyl]methanamine

C17H16BrN3 — CID 60783970

IUPAC[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nc3cc(Br)ccc3n2C2CC2)cc1
InChIInChI=1S/C17H16BrN3/c18-13-5-8-16-15(9-13)20-17(21(16)14-6-7-14)12-3-1-11(10-19)2-4-12/h1-5,8-9,14H,6-7,10,19H2
InChIKeyMUQLANWHYVPBEV-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.26
Rot. Bonds3

About [4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenyl]methanamine

[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenyl]methanamine (PubChem CID 60783970) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is [4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenyl]methanamine
PubChem CID60783970
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC Name[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nc3cc(Br)ccc3n2C2CC2)cc1
InChIInChI=1S/C17H16BrN3/c18-13-5-8-16-15(9-13)20-17(21(16)14-6-7-14)12-3-1-11(10-19)2-4-12/h1-5,8-9,14H,6-7,10,19H2
InChIKeyMUQLANWHYVPBEV-UHFFFAOYSA-N
XLogP4.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60783333
5-bromo-2-[3-(chloromethyl)phenyl]-1-cyclopropylbenzimidazole
CID 60783497
2-amino-5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenol
CID 60837055
5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-fluoroaniline
CID 60836884
[4-(5-bromo-1-propylbenzimidazol-2-yl)phenyl]methanamine
CID 60785381
4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylphenol
CID 136751399
5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline
CID 63494896
[1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)cyclopentyl]methanamine
CID 115433468
3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylphenol
CID 82809543
5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole
CID 43660199
5-bromo-2-chloro-1-cyclopropylbenzimidazole
CID 83680821
[1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)cyclopropyl]methanamine
CID 115450560

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenyl]methanamine?
The IUPAC name of [4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenyl]methanamine (CID 60783970) is [4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenyl]methanamine?
The canonical SMILES for [4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenyl]methanamine is NCc1ccc(-c2nc3cc(Br)ccc3n2C2CC2)cc1.
What is the InChIKey of [4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenyl]methanamine?
The InChIKey is MUQLANWHYVPBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c18-13-5-8-16-15(9-13)20-17(21(16)14-6-7-14)12-3-1-11(10-19)2-4-12/h1-5,8-9,14H,6-7,10,19H2.
What are the key properties of [4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenyl]methanamine?
[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenyl]methanamine has a molecular weight of 342.24 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 60783970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).