1-(1-ethylpiperidin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine

C17H26N4 — CID 63378932

IUPAC1-(1-ethylpiperidin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
SMILESCCN1CCC(CNCc2nc3ccccc3n2C)CC1
InChIInChI=1S/C17H26N4/c1-3-21-10-8-14(9-11-21)12-18-13-17-19-15-6-4-5-7-16(15)20(17)2/h4-7,14,18H,3,8-13H2,1-2H3
InChIKeyCVZQQLWBQFUPMP-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.39
Rot. Bonds5

About 1-(1-ethylpiperidin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine

1-(1-ethylpiperidin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine (PubChem CID 63378932) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
PubChem CID63378932
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name1-(1-ethylpiperidin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
SMILESCCN1CCC(CNCc2nc3ccccc3n2C)CC1
InChIInChI=1S/C17H26N4/c1-3-21-10-8-14(9-11-21)12-18-13-17-19-15-6-4-5-7-16(15)20(17)2/h4-7,14,18H,3,8-13H2,1-2H3
InChIKeyCVZQQLWBQFUPMP-UHFFFAOYSA-N
XLogP2.39
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115614962
N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95159798
3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 115639506
N-[(1-tert-butylbenzimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 43655437
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(thian-2-yl)methanamine
CID 80601341
N-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine
CID 60665222
1-(1,1-dioxothiolan-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 81038373
N-[(1-cyclopropylcyclopropyl)methyl]-1-(1-methylbenzimidazol-2-yl)methanamine
CID 103838563
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411845
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119124241
3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol
CID 66176732

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine (CID 63378932) is 1-(1-ethylpiperidin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine is CCN1CCC(CNCc2nc3ccccc3n2C)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine?
The InChIKey is CVZQQLWBQFUPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-3-21-10-8-14(9-11-21)12-18-13-17-19-15-6-4-5-7-16(15)20(17)2/h4-7,14,18H,3,8-13H2,1-2H3.
What are the key properties of 1-(1-ethylpiperidin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine?
1-(1-ethylpiperidin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine has a molecular weight of 286.42 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 63378932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).