N-benzyl-N-ethyl-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine

C19H23N3 — CID 82336142

IUPACN-benzyl-N-ethyl-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
SMILESCCN(Cc1ccccc1)C(C)c1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C19H23N3/c1-4-22(13-16-8-6-5-7-9-16)15(3)19-20-17-11-10-14(2)12-18(17)21-19/h5-12,15H,4,13H2,1-3H3,(H,20,21)
InChIKeyCMKBCLBJUQAPHY-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.45
Rot. Bonds5

About N-benzyl-N-ethyl-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine

N-benzyl-N-ethyl-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine (PubChem CID 82336142) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
PubChem CID82336142
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC NameN-benzyl-N-ethyl-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
SMILESCCN(Cc1ccccc1)C(C)c1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C19H23N3/c1-4-22(13-16-8-6-5-7-9-16)15(3)19-20-17-11-10-14(2)12-18(17)21-19/h5-12,15H,4,13H2,1-3H3,(H,20,21)
InChIKeyCMKBCLBJUQAPHY-UHFFFAOYSA-N
XLogP4.45
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-ethyl-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-1-(6-ethyl-1H-benzimidazol-2-yl)ethanamine
CID 82336183
1-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpropan-1-amine
CID 114917404
N-benzyl-N-ethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 110536430
(1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 1090298
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 653921
N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-1-phenylmethanamine
CID 3009971
methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 143560224
3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 43379497
2-[(2R)-1-methoxypropan-2-yl]-6-methyl-1H-benzimidazole
CID 143794586
ethyl 3-[methyl-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]propanoate
CID 82336165
2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine
CID 82336531
2-[(1S)-1-[ethyl(furan-3-ylmethyl)amino]ethyl]-3H-quinazolin-4-one
CID 136833027

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine?
The IUPAC name of N-benzyl-N-ethyl-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine (CID 82336142) is N-benzyl-N-ethyl-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine.
What is the SMILES notation for N-benzyl-N-ethyl-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine?
The canonical SMILES for N-benzyl-N-ethyl-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine is CCN(Cc1ccccc1)C(C)c1nc2ccc(C)cc2[nH]1.
What is the InChIKey of N-benzyl-N-ethyl-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine?
The InChIKey is CMKBCLBJUQAPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-4-22(13-16-8-6-5-7-9-16)15(3)19-20-17-11-10-14(2)12-18(17)21-19/h5-12,15H,4,13H2,1-3H3,(H,20,21).
What are the key properties of N-benzyl-N-ethyl-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine?
N-benzyl-N-ethyl-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine has a molecular weight of 293.41 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine is sourced from PubChem (CID 82336142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).