2-[4-(3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine

C15H22N4 — CID 58730699

IUPAC2-[4-(3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C15H22N4/c1-16-6-9-19-7-4-12(5-8-19)13-2-3-14-15(10-13)18-11-17-14/h2-3,10-12,16H,4-9H2,1H3,(H,17,18)
InChIKeyPVJVACKYRGZLFL-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.96
Rot. Bonds4

About 2-[4-(3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine

2-[4-(3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine (PubChem CID 58730699) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[4-(3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine
PubChem CID58730699
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-[4-(3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C15H22N4/c1-16-6-9-19-7-4-12(5-8-19)13-2-3-14-15(10-13)18-11-17-14/h2-3,10-12,16H,4-9H2,1H3,(H,17,18)
InChIKeyPVJVACKYRGZLFL-UHFFFAOYSA-N
XLogP1.96
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 118173370
N-methyl-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]aniline
CID 145463368
N-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 162475306
2-[4-(2-benzyl-7-methyl-3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine
CID 58730853
N-methyl-2-[4-[3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 134329284
2-[4-[2-(2,5-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
CID 58730857
N-methyl-2-[4-[3-methyl-2-(2-phenylmethoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 58730804
N'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine
CID 115226891
6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole
CID 116928065
N-[4-fluoro-2-[3-fluoro-5-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-indol-2-yl]phenyl]methanesulfonamide
CID 58730856
4-(3H-benzimidazol-5-yl)-1-ethyl-3-methylimidazolidin-2-one
CID 116983068
2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine;dihydrochloride
CID 164887588

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[4-(3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine (CID 58730699) is 2-[4-(3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-(3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine is CNCCN1CCC(c2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of 2-[4-(3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine?
The InChIKey is PVJVACKYRGZLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-16-6-9-19-7-4-12(5-8-19)13-2-3-14-15(10-13)18-11-17-14/h2-3,10-12,16H,4-9H2,1H3,(H,17,18).
What are the key properties of 2-[4-(3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine?
2-[4-(3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine has a molecular weight of 258.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine is sourced from PubChem (CID 58730699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).