N-[2-(benzimidazol-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine

C18H21N3O — CID 71862770

IUPACN-[2-(benzimidazol-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCCn2cnc3ccccc32)c1
InChIInChI=1S/C18H21N3O/c1-14(15-6-5-7-16(12-15)22-2)19-10-11-21-13-20-17-8-3-4-9-18(17)21/h3-9,12-14,19H,10-11H2,1-2H3
InChIKeyIJFJBMRKUIKOQX-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.40
Rot. Bonds6

About N-[2-(benzimidazol-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine

N-[2-(benzimidazol-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 71862770) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID71862770
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-[2-(benzimidazol-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCCn2cnc3ccccc32)c1
InChIInChI=1S/C18H21N3O/c1-14(15-6-5-7-16(12-15)22-2)19-10-11-21-13-20-17-8-3-4-9-18(17)21/h3-9,12-14,19H,10-11H2,1-2H3
InChIKeyIJFJBMRKUIKOQX-UHFFFAOYSA-N
XLogP3.40
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(benzimidazol-1-yl)ethyl]-1-(4-bromophenyl)ethanamine
CID 71876443
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
(1R)-1-(3-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81373333
(1S)-N-[2-(4-methoxyphenoxy)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 95972955
1-(3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63328676
4-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butanenitrile
CID 81373125
1-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 43193663
1-(3-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61214144
N-[2-(benzimidazol-1-yl)ethyl]-2,4-dimethoxybenzamide
CID 47069219
1-(3-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 60976496
N-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 18357750
N-[(1R)-1-(3-methoxyphenyl)ethyl]but-2-yn-1-amine
CID 81372969

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine (CID 71862770) is N-[2-(benzimidazol-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for N-[2-(benzimidazol-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(C)NCCn2cnc3ccccc32)c1.
What is the InChIKey of N-[2-(benzimidazol-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is IJFJBMRKUIKOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14(15-6-5-7-16(12-15)22-2)19-10-11-21-13-20-17-8-3-4-9-18(17)21/h3-9,12-14,19H,10-11H2,1-2H3.
What are the key properties of N-[2-(benzimidazol-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine?
N-[2-(benzimidazol-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine has a molecular weight of 295.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 71862770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).