4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine

C14H20BrN3 — CID 62047954

IUPAC4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine
SMILESCCn1c(CCC(C)(C)N)nc2cc(Br)ccc21
InChIInChI=1S/C14H20BrN3/c1-4-18-12-6-5-10(15)9-11(12)17-13(18)7-8-14(2,3)16/h5-6,9H,4,7-8,16H2,1-3H3
InChIKeyGAHYEYXJNDLYGL-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.49
Rot. Bonds4

About 4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine

4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine (PubChem CID 62047954) has the molecular formula C14H20BrN3 and a molecular weight of 310.24 g/mol. Its IUPAC name is 4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine
PubChem CID62047954
Molecular FormulaC14H20BrN3
Molecular Weight310.24 g/mol
Exact Mass309.08
IUPAC Name4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine
SMILESCCn1c(CCC(C)(C)N)nc2cc(Br)ccc21
InChIInChI=1S/C14H20BrN3/c1-4-18-12-6-5-10(15)9-11(12)17-13(18)7-8-14(2,3)16/h5-6,9H,4,7-8,16H2,1-3H3
InChIKeyGAHYEYXJNDLYGL-UHFFFAOYSA-N
XLogP3.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-2-amine
CID 62048134
2-(5-bromo-1-ethylbenzimidazol-2-yl)acetonitrile
CID 82332810
N-[2-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 54924007
5-bromo-1,2-bis(2,2-dimethylpropyl)benzimidazole
CID 90864285
1-(5-bromo-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine
CID 62828331
5-(1-ethyl-5-methylbenzimidazol-2-yl)-3,3-dimethylpentan-1-amine
CID 65284176
N-[(5-bromo-1-ethylbenzimidazol-2-yl)methyl]-4-chloroaniline
CID 60837375
5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 62218072
2-(5-bromo-2-ethylbenzimidazol-1-yl)ethanamine
CID 84808266
2-(1,5-diethylbenzimidazol-2-yl)ethanamine
CID 82333476
5-bromo-1-butyl-2-(2-methoxyethyl)benzimidazole
CID 22730799
5-bromo-1-ethylbenzimidazole-2-carbaldehyde
CID 63772017

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine?
The IUPAC name of 4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine (CID 62047954) is 4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine.
What is the SMILES notation for 4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine?
The canonical SMILES for 4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine is CCn1c(CCC(C)(C)N)nc2cc(Br)ccc21.
What is the InChIKey of 4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine?
The InChIKey is GAHYEYXJNDLYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3/c1-4-18-12-6-5-10(15)9-11(12)17-13(18)7-8-14(2,3)16/h5-6,9H,4,7-8,16H2,1-3H3.
What are the key properties of 4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine?
4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine has a molecular weight of 310.24 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine is sourced from PubChem (CID 62047954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).