2-(7-bromo-2-methyl-3H-benzimidazol-5-yl)propan-1-amine

C11H14BrN3 — CID 83902838

IUPAC2-(7-bromo-2-methyl-3H-benzimidazol-5-yl)propan-1-amine
SMILESCc1nc2c(Br)cc(C(C)CN)cc2[nH]1
InChIInChI=1S/C11H14BrN3/c1-6(5-13)8-3-9(12)11-10(4-8)14-7(2)15-11/h3-4,6H,5,13H2,1-2H3,(H,14,15)
InChIKeyKIDONFGUVNAROK-UHFFFAOYSA-N
MW268.16 g/mol
LogP2.70
Rot. Bonds2

About 2-(7-bromo-2-methyl-3H-benzimidazol-5-yl)propan-1-amine

2-(7-bromo-2-methyl-3H-benzimidazol-5-yl)propan-1-amine (PubChem CID 83902838) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is 2-(7-bromo-2-methyl-3H-benzimidazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(7-bromo-2-methyl-3H-benzimidazol-5-yl)propan-1-amine
PubChem CID83902838
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name2-(7-bromo-2-methyl-3H-benzimidazol-5-yl)propan-1-amine
SMILESCc1nc2c(Br)cc(C(C)CN)cc2[nH]1
InChIInChI=1S/C11H14BrN3/c1-6(5-13)8-3-9(12)11-10(4-8)14-7(2)15-11/h3-4,6H,5,13H2,1-2H3,(H,14,15)
InChIKeyKIDONFGUVNAROK-UHFFFAOYSA-N
XLogP2.70
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(7-bromo-2-methyl-3H-benzimidazol-5-yl)propan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine
CID 83866913
2-(3,5-dimethylphenyl)propan-1-amine
CID 79003874
2-methyl-3-(2-methyl-1H-benzimidazol-4-yl)propan-1-amine
CID 83881603
4-bromo-2-chloro-6-(difluoromethyl)-1H-benzimidazole
CID 130968745
5-(1-aminopropan-2-yl)-2-bromo-3-methylphenol
CID 84802474
5-(1-aminopropan-2-yl)-2-bromoaniline
CID 84692433
5,6-dibromo-2-methyl-4-nitro-1H-benzimidazole
CID 10782983
2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine
CID 117483716
2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 65233278
2-[3-bromo-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-amine
CID 117496682
2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]propan-1-amine
CID 117472556
5-(1-aminopropan-2-yl)-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 83903349

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-2-methyl-3H-benzimidazol-5-yl)propan-1-amine?
The IUPAC name of 2-(7-bromo-2-methyl-3H-benzimidazol-5-yl)propan-1-amine (CID 83902838) is 2-(7-bromo-2-methyl-3H-benzimidazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-(7-bromo-2-methyl-3H-benzimidazol-5-yl)propan-1-amine?
The canonical SMILES for 2-(7-bromo-2-methyl-3H-benzimidazol-5-yl)propan-1-amine is Cc1nc2c(Br)cc(C(C)CN)cc2[nH]1.
What is the InChIKey of 2-(7-bromo-2-methyl-3H-benzimidazol-5-yl)propan-1-amine?
The InChIKey is KIDONFGUVNAROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c1-6(5-13)8-3-9(12)11-10(4-8)14-7(2)15-11/h3-4,6H,5,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(7-bromo-2-methyl-3H-benzimidazol-5-yl)propan-1-amine?
2-(7-bromo-2-methyl-3H-benzimidazol-5-yl)propan-1-amine has a molecular weight of 268.16 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-2-methyl-3H-benzimidazol-5-yl)propan-1-amine is sourced from PubChem (CID 83902838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).