4-bromo-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline

C16H16BrN3 — CID 43194560

IUPAC4-bromo-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
SMILESCC(Nc1ccc(Br)cc1)c1nc2ccccc2n1C
InChIInChI=1S/C16H16BrN3/c1-11(18-13-9-7-12(17)8-10-13)16-19-14-5-3-4-6-15(14)20(16)2/h3-11,18H,1-2H3
InChIKeyCTYVZAKDMAAYSD-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.51
Rot. Bonds3

About 4-bromo-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline

4-bromo-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline (PubChem CID 43194560) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is 4-bromo-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
PubChem CID43194560
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC Name4-bromo-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
SMILESCC(Nc1ccc(Br)cc1)c1nc2ccccc2n1C
InChIInChI=1S/C16H16BrN3/c1-11(18-13-9-7-12(17)8-10-13)16-19-14-5-3-4-6-15(14)20(16)2/h3-11,18H,1-2H3
InChIKeyCTYVZAKDMAAYSD-UHFFFAOYSA-N
XLogP4.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43190024
3,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43195422
N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridin-3-amine
CID 43190607
1-methyl-5-[1-(1-methylbenzimidazol-2-yl)ethylamino]pyridin-2-one
CID 60932031
N-[1-(1-methylbenzimidazol-2-yl)ethyl]thiophen-3-amine
CID 66351451
3-fluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43194264
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
2,6-difluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43123935
1-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine
CID 43543411
N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 82706490
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide
CID 7574617
(1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine
CID 81351559

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline?
The IUPAC name of 4-bromo-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline (CID 43194560) is 4-bromo-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline.
What is the SMILES notation for 4-bromo-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline?
The canonical SMILES for 4-bromo-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline is CC(Nc1ccc(Br)cc1)c1nc2ccccc2n1C.
What is the InChIKey of 4-bromo-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline?
The InChIKey is CTYVZAKDMAAYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-11(18-13-9-7-12(17)8-10-13)16-19-14-5-3-4-6-15(14)20(16)2/h3-11,18H,1-2H3.
What are the key properties of 4-bromo-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline?
4-bromo-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline has a molecular weight of 330.23 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline is sourced from PubChem (CID 43194560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).