2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-amine

C14H18BrN3 — CID 115427812

IUPAC2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1nc2cc(Br)ccc2n1C1CC1
InChIInChI=1S/C14H18BrN3/c1-14(2,8-16)13-17-11-7-9(15)3-6-12(11)18(13)10-4-5-10/h3,6-7,10H,4-5,8,16H2,1-2H3
InChIKeyXPKYQXZPYIPWRJ-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.37
Rot. Bonds3

About 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-amine

2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-amine (PubChem CID 115427812) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-amine
PubChem CID115427812
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1nc2cc(Br)ccc2n1C1CC1
InChIInChI=1S/C14H18BrN3/c1-14(2,8-16)13-17-11-7-9(15)3-6-12(11)18(13)10-4-5-10/h3,6-7,10H,4-5,8,16H2,1-2H3
InChIKeyXPKYQXZPYIPWRJ-UHFFFAOYSA-N
XLogP3.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 115427820
[1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)cyclopropyl]methanamine
CID 115450560
[1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)cyclopentyl]methanamine
CID 115433468
5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole
CID 43660199
5-bromo-2-chloro-1-cyclopropylbenzimidazole
CID 83680821
[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenyl]methanamine
CID 60783970
2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-2-methylpropan-1-amine
CID 83858282
2-amino-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)ethanol
CID 60783807
5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline
CID 63494896
1-(5-bromo-1-methylbenzimidazol-2-yl)-1-cyclopropylethanamine
CID 64669671
ethyl 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)acetate
CID 79475112
5-bromo-2-(chloromethyl)-1-(4-ethylcyclohexyl)benzimidazole
CID 63545228

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-amine (CID 115427812) is 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-amine is CC(C)(CN)c1nc2cc(Br)ccc2n1C1CC1.
What is the InChIKey of 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-amine?
The InChIKey is XPKYQXZPYIPWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-14(2,8-16)13-17-11-7-9(15)3-6-12(11)18(13)10-4-5-10/h3,6-7,10H,4-5,8,16H2,1-2H3.
What are the key properties of 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-amine?
2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-amine has a molecular weight of 308.22 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 115427812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).