7-bromo-1-ethylbenzimidazol-2-amine

C9H10BrN3 — CID 84800337

IUPAC7-bromo-1-ethylbenzimidazol-2-amine
SMILESCCn1c(N)nc2cccc(Br)c21
InChIInChI=1S/C9H10BrN3/c1-2-13-8-6(10)4-3-5-7(8)12-9(13)11/h3-5H,2H2,1H3,(H2,11,12)
InChIKeyHWPOTSKZHPXSFF-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.40
Rot. Bonds1

About 7-bromo-1-ethylbenzimidazol-2-amine

7-bromo-1-ethylbenzimidazol-2-amine (PubChem CID 84800337) has the molecular formula C9H10BrN3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 7-bromo-1-ethylbenzimidazol-2-amine.

Molecular Properties

Compound Name7-bromo-1-ethylbenzimidazol-2-amine
PubChem CID84800337
Molecular FormulaC9H10BrN3
Molecular Weight240.10 g/mol
Exact Mass239.01
IUPAC Name7-bromo-1-ethylbenzimidazol-2-amine
SMILESCCn1c(N)nc2cccc(Br)c21
InChIInChI=1S/C9H10BrN3/c1-2-13-8-6(10)4-3-5-7(8)12-9(13)11/h3-5H,2H2,1H3,(H2,11,12)
InChIKeyHWPOTSKZHPXSFF-UHFFFAOYSA-N
XLogP2.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine
CID 115552239
4-bromo-1-propylbenzimidazol-2-amine
CID 84804649
3-(7-bromo-2-methylbenzimidazol-1-yl)propanoic acid
CID 84812557
7-methyl-1-(2-methylbutan-2-yl)benzimidazol-2-amine
CID 115552225
3-(2-amino-7-chlorobenzimidazol-1-yl)propan-1-ol
CID 91671805
7-(aminomethyl)-1-(2-methylpropyl)benzimidazol-2-amine
CID 84786297
1-[2-(dimethylamino)ethyl]-7-methylbenzimidazol-2-amine
CID 115552143
1-bromo-9-ethylcarbazole
CID 19736997
2,7-dibromo-1-ethyl-3-methylindole
CID 117127877
7-chloro-1-(3-methyl-2-propan-2-ylbutyl)benzimidazol-2-amine
CID 102906797
3-(7-bromo-1-ethylindol-2-yl)propan-1-amine
CID 117196972
7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 115552322

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-ethylbenzimidazol-2-amine?
The IUPAC name of 7-bromo-1-ethylbenzimidazol-2-amine (CID 84800337) is 7-bromo-1-ethylbenzimidazol-2-amine.
What is the SMILES notation for 7-bromo-1-ethylbenzimidazol-2-amine?
The canonical SMILES for 7-bromo-1-ethylbenzimidazol-2-amine is CCn1c(N)nc2cccc(Br)c21.
What is the InChIKey of 7-bromo-1-ethylbenzimidazol-2-amine?
The InChIKey is HWPOTSKZHPXSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3/c1-2-13-8-6(10)4-3-5-7(8)12-9(13)11/h3-5H,2H2,1H3,(H2,11,12).
What are the key properties of 7-bromo-1-ethylbenzimidazol-2-amine?
7-bromo-1-ethylbenzimidazol-2-amine has a molecular weight of 240.10 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-ethylbenzimidazol-2-amine is sourced from PubChem (CID 84800337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).