N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine

C18H21N3O — CID 43823447

IUPACN-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCOc1ccccc1CNC(C)c1nc2ccccc2n1C
InChIInChI=1S/C18H21N3O/c1-13(19-12-14-8-4-7-11-17(14)22-3)18-20-15-9-5-6-10-16(15)21(18)2/h4-11,13,19H,12H2,1-3H3
InChIKeyYUQDHWNDHIUPEF-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.43
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine

N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine (PubChem CID 43823447) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
PubChem CID43823447
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCOc1ccccc1CNC(C)c1nc2ccccc2n1C
InChIInChI=1S/C18H21N3O/c1-13(19-12-14-8-4-7-11-17(14)22-3)18-20-15-9-5-6-10-16(15)21(18)2/h4-11,13,19H,12H2,1-3H3
InChIKeyYUQDHWNDHIUPEF-UHFFFAOYSA-N
XLogP3.43
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide
CID 91823296
N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine
CID 43192433
N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 82706490
(1R)-N-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 95772855
(1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 755584
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]guanidine
CID 111217547
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine
CID 113350156
4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol
CID 106840769
(1S)-1-(1-methylbenzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28671585
N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 16968736
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine (CID 43823447) is N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine is COc1ccccc1CNC(C)c1nc2ccccc2n1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine?
The InChIKey is YUQDHWNDHIUPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13(19-12-14-8-4-7-11-17(14)22-3)18-20-15-9-5-6-10-16(15)21(18)2/h4-11,13,19H,12H2,1-3H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine?
N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine has a molecular weight of 295.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 43823447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).