7-bromo-2-ethyl-1-methylbenzimidazol-5-amine

C10H12BrN3 — CID 82381674

IUPAC7-bromo-2-ethyl-1-methylbenzimidazol-5-amine
SMILESCCc1nc2cc(N)cc(Br)c2n1C
InChIInChI=1S/C10H12BrN3/c1-3-9-13-8-5-6(12)4-7(11)10(8)14(9)2/h4-5H,3,12H2,1-2H3
InChIKeyNKRYMRIAIPMFQR-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.48
Rot. Bonds1

About 7-bromo-2-ethyl-1-methylbenzimidazol-5-amine

7-bromo-2-ethyl-1-methylbenzimidazol-5-amine (PubChem CID 82381674) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 7-bromo-2-ethyl-1-methylbenzimidazol-5-amine.

Molecular Properties

Compound Name7-bromo-2-ethyl-1-methylbenzimidazol-5-amine
PubChem CID82381674
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name7-bromo-2-ethyl-1-methylbenzimidazol-5-amine
SMILESCCc1nc2cc(N)cc(Br)c2n1C
InChIInChI=1S/C10H12BrN3/c1-3-9-13-8-5-6(12)4-7(11)10(8)14(9)2/h4-5H,3,12H2,1-2H3
InChIKeyNKRYMRIAIPMFQR-UHFFFAOYSA-N
XLogP2.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(7-bromo-1,5-dimethylbenzimidazol-2-yl)acetonitrile
CID 84639418
5-bromo-2-ethyl-1-methylbenzimidazole
CID 84701099
3-(7-bromo-1,5-dimethylbenzimidazol-2-yl)propanoic acid
CID 84644355
7-bromo-1,5-dimethyl-2-(piperazin-1-ylmethyl)benzimidazole
CID 84646092
1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine
CID 63495969
1-(4-bromo-3,5-dimethylphenyl)-2-ethylbenzimidazol-5-amine
CID 107579219
2-(5-bromo-2-ethylbenzimidazol-1-yl)ethanamine
CID 84808266
2-ethyl-1,6,7-trimethylimidazo[4,5-f]benzimidazole
CID 23572275
3-(5-bromo-1,7-dimethylbenzimidazol-2-yl)propan-1-amine
CID 84642992
2-(7-bromo-1,5-dimethylbenzimidazol-2-yl)propan-2-amine
CID 84642998
2-butyl-1-methylbenzimidazol-5-amine
CID 58382812
3,5-dibromo-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]aniline
CID 43524973

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-ethyl-1-methylbenzimidazol-5-amine?
The IUPAC name of 7-bromo-2-ethyl-1-methylbenzimidazol-5-amine (CID 82381674) is 7-bromo-2-ethyl-1-methylbenzimidazol-5-amine.
What is the SMILES notation for 7-bromo-2-ethyl-1-methylbenzimidazol-5-amine?
The canonical SMILES for 7-bromo-2-ethyl-1-methylbenzimidazol-5-amine is CCc1nc2cc(N)cc(Br)c2n1C.
What is the InChIKey of 7-bromo-2-ethyl-1-methylbenzimidazol-5-amine?
The InChIKey is NKRYMRIAIPMFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-3-9-13-8-5-6(12)4-7(11)10(8)14(9)2/h4-5H,3,12H2,1-2H3.
What are the key properties of 7-bromo-2-ethyl-1-methylbenzimidazol-5-amine?
7-bromo-2-ethyl-1-methylbenzimidazol-5-amine has a molecular weight of 254.13 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-ethyl-1-methylbenzimidazol-5-amine is sourced from PubChem (CID 82381674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).