1-(5-bromo-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine

C14H20BrN3 — CID 62828331

IUPAC1-(5-bromo-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1nc2cc(Br)ccc2n1CC
InChIInChI=1S/C14H20BrN3/c1-4-16-10(3)8-14-17-12-9-11(15)6-7-13(12)18(14)5-2/h6-7,9-10,16H,4-5,8H2,1-3H3
InChIKeyNMJOUIUYNWXESO-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.36
Rot. Bonds5

About 1-(5-bromo-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine

1-(5-bromo-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine (PubChem CID 62828331) has the molecular formula C14H20BrN3 and a molecular weight of 310.24 g/mol. Its IUPAC name is 1-(5-bromo-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine
PubChem CID62828331
Molecular FormulaC14H20BrN3
Molecular Weight310.24 g/mol
Exact Mass309.08
IUPAC Name1-(5-bromo-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1nc2cc(Br)ccc2n1CC
InChIInChI=1S/C14H20BrN3/c1-4-16-10(3)8-14-17-12-9-11(15)6-7-13(12)18(14)5-2/h6-7,9-10,16H,4-5,8H2,1-3H3
InChIKeyNMJOUIUYNWXESO-UHFFFAOYSA-N
XLogP3.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine
CID 62827617
N-[1-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 63023819
2-(5-bromo-1-ethylbenzimidazol-2-yl)acetonitrile
CID 82332810
4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine
CID 62047954
N-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]butan-2-amine
CID 60835708
1-(5-bromo-1-ethylbenzimidazol-2-yl)ethanol
CID 63023634
N-[2-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 54924007
N-[(5-bromo-1-ethylbenzimidazol-2-yl)methyl]-4-chloroaniline
CID 60837375
N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine
CID 60837205
N-ethyl-1-(1-ethyl-4-fluorobenzimidazol-2-yl)propan-2-amine
CID 62826190
(6-bromo-1-ethylbenzimidazol-2-yl)methanol
CID 67247825
N-ethyl-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-amine
CID 62827798

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(5-bromo-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine (CID 62828331) is 1-(5-bromo-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine is CCNC(C)Cc1nc2cc(Br)ccc2n1CC.
What is the InChIKey of 1-(5-bromo-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine?
The InChIKey is NMJOUIUYNWXESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3/c1-4-16-10(3)8-14-17-12-9-11(15)6-7-13(12)18(14)5-2/h6-7,9-10,16H,4-5,8H2,1-3H3.
What are the key properties of 1-(5-bromo-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine?
1-(5-bromo-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine has a molecular weight of 310.24 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine is sourced from PubChem (CID 62828331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).