1-[5-methoxy-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanamine

C18H21N3O — CID 82334348

IUPAC1-[5-methoxy-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanamine
SMILESCOc1ccc2c(c1)nc(C(C)N)n2Cc1ccccc1C
InChIInChI=1S/C18H21N3O/c1-12-6-4-5-7-14(12)11-21-17-9-8-15(22-3)10-16(17)20-18(21)13(2)19/h4-10,13H,11,19H2,1-3H3
InChIKeyLZPSSMIHTUUCRU-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.42
Rot. Bonds4

About 1-[5-methoxy-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanamine

1-[5-methoxy-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanamine (PubChem CID 82334348) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[5-methoxy-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-methoxy-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanamine
PubChem CID82334348
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-[5-methoxy-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanamine
SMILESCOc1ccc2c(c1)nc(C(C)N)n2Cc1ccccc1C
InChIInChI=1S/C18H21N3O/c1-12-6-4-5-7-14(12)11-21-17-9-8-15(22-3)10-16(17)20-18(21)13(2)19/h4-10,13H,11,19H2,1-3H3
InChIKeyLZPSSMIHTUUCRU-UHFFFAOYSA-N
XLogP3.42
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methylphenyl)methyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62506386
(1S)-1-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 83858310
1-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 82333524
1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 82024681
1-[(2-chlorophenyl)methyl]-5-methoxy-2-[1-[4-(2-methoxyethyl)phenyl]ethyl]benzimidazole
CID 170091116
5-methyl-1-[(2-methylphenyl)methyl]benzimidazol-2-amine
CID 54944327
1-(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)ethanamine
CID 82335259
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 2987392
2-(1-chloroethyl)-1-(2,2-dimethylbutyl)-5-methoxybenzimidazole
CID 103462960
1-[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]butan-1-amine
CID 82334395
1-(5-propoxy-1-propylbenzimidazol-2-yl)ethanamine
CID 82335031
2-(chloromethyl)-5-methyl-1-[(2-methylphenyl)methyl]benzimidazole
CID 60902601

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanamine?
The IUPAC name of 1-[5-methoxy-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanamine (CID 82334348) is 1-[5-methoxy-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-methoxy-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-methoxy-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanamine is COc1ccc2c(c1)nc(C(C)N)n2Cc1ccccc1C.
What is the InChIKey of 1-[5-methoxy-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanamine?
The InChIKey is LZPSSMIHTUUCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-12-6-4-5-7-14(12)11-21-17-9-8-15(22-3)10-16(17)20-18(21)13(2)19/h4-10,13H,11,19H2,1-3H3.
What are the key properties of 1-[5-methoxy-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanamine?
1-[5-methoxy-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanamine has a molecular weight of 295.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 82334348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).