N-methyl-2-(2-methylbenzimidazol-1-yl)-2-phenylethanamine

C17H19N3 — CID 62563009

IUPACN-methyl-2-(2-methylbenzimidazol-1-yl)-2-phenylethanamine
SMILESCNCC(c1ccccc1)n1c(C)nc2ccccc21
InChIInChI=1S/C17H19N3/c1-13-19-15-10-6-7-11-16(15)20(13)17(12-18-2)14-8-4-3-5-9-14/h3-11,17-18H,12H2,1-2H3
InChIKeyOVFCCZBCCVDQKB-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.15
Rot. Bonds4

About N-methyl-2-(2-methylbenzimidazol-1-yl)-2-phenylethanamine

N-methyl-2-(2-methylbenzimidazol-1-yl)-2-phenylethanamine (PubChem CID 62563009) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-methyl-2-(2-methylbenzimidazol-1-yl)-2-phenylethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylbenzimidazol-1-yl)-2-phenylethanamine
PubChem CID62563009
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-methyl-2-(2-methylbenzimidazol-1-yl)-2-phenylethanamine
SMILESCNCC(c1ccccc1)n1c(C)nc2ccccc21
InChIInChI=1S/C17H19N3/c1-13-19-15-10-6-7-11-16(15)20(13)17(12-18-2)14-8-4-3-5-9-14/h3-11,17-18H,12H2,1-2H3
InChIKeyOVFCCZBCCVDQKB-UHFFFAOYSA-N
XLogP3.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-chloropropan-2-yl)-2-methylbenzimidazole
CID 21239359
N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632401
2-(2-methylbenzimidazol-1-yl)-N-propylpropan-1-amine
CID 62563525
2-(2-methylbenzimidazol-1-yl)propanoic acid
CID 5236849
N-tert-butyl-3-methyl-2-(2-methylbenzimidazol-1-yl)butan-1-amine
CID 62563007
3-(2-methylbenzimidazol-1-yl)butan-2-amine
CID 61351774
2-(2-ethylbenzimidazol-1-yl)-2-phenylethanamine
CID 63105228
N-methyl-2-phenyl-2-(2-phenylimidazol-1-yl)ethanamine
CID 62566802
N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)propan-1-amine
CID 62563351
(1R)-2-(2-methylbenzimidazol-1-yl)-1-phenylethanol
CID 51517940
methyl 2-(2-methylbenzimidazol-1-yl)butanoate
CID 4000704
2-methyl-N-phenylbenzimidazol-1-amine
CID 15532784

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylbenzimidazol-1-yl)-2-phenylethanamine?
The IUPAC name of N-methyl-2-(2-methylbenzimidazol-1-yl)-2-phenylethanamine (CID 62563009) is N-methyl-2-(2-methylbenzimidazol-1-yl)-2-phenylethanamine.
What is the SMILES notation for N-methyl-2-(2-methylbenzimidazol-1-yl)-2-phenylethanamine?
The canonical SMILES for N-methyl-2-(2-methylbenzimidazol-1-yl)-2-phenylethanamine is CNCC(c1ccccc1)n1c(C)nc2ccccc21.
What is the InChIKey of N-methyl-2-(2-methylbenzimidazol-1-yl)-2-phenylethanamine?
The InChIKey is OVFCCZBCCVDQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-13-19-15-10-6-7-11-16(15)20(13)17(12-18-2)14-8-4-3-5-9-14/h3-11,17-18H,12H2,1-2H3.
What are the key properties of N-methyl-2-(2-methylbenzimidazol-1-yl)-2-phenylethanamine?
N-methyl-2-(2-methylbenzimidazol-1-yl)-2-phenylethanamine has a molecular weight of 265.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylbenzimidazol-1-yl)-2-phenylethanamine is sourced from PubChem (CID 62563009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).