N-methyl-1-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidin-3-amine

C16H24N4 — CID 62536351

IUPACN-methyl-1-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidin-3-amine
SMILESCNC1CCCN(C(C)c2nc3ccccc3n2C)C1
InChIInChI=1S/C16H24N4/c1-12(20-10-6-7-13(11-20)17-2)16-18-14-8-4-5-9-15(14)19(16)3/h4-5,8-9,12-13,17H,6-7,10-11H2,1-3H3
InChIKeyPLEBMBBKRGCDDC-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.32
Rot. Bonds3

About N-methyl-1-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidin-3-amine

N-methyl-1-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidin-3-amine (PubChem CID 62536351) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-methyl-1-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidin-3-amine
PubChem CID62536351
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-methyl-1-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidin-3-amine
SMILESCNC1CCCN(C(C)c2nc3ccccc3n2C)C1
InChIInChI=1S/C16H24N4/c1-12(20-10-6-7-13(11-20)17-2)16-18-14-8-4-5-9-15(14)19(16)3/h4-5,8-9,12-13,17H,6-7,10-11H2,1-3H3
InChIKeyPLEBMBBKRGCDDC-UHFFFAOYSA-N
XLogP2.32
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-(1-piperazin-1-ylethyl)benzimidazole
CID 54914315
(1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine
CID 81396604
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 43195903
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
N-cyclopentyl-1-methylbenzimidazol-2-amine
CID 923815
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1,1-dioxothian-4-amine
CID 43614991
1-methyl-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]piperidin-4-amine
CID 75383078
(3R)-N-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine
CID 129427482
2,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 43196258
1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole
CID 92735667
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropanesulfonamide
CID 125436765
3-[1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperidin-3-yl]propanoic acid
CID 122101015

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidin-3-amine?
The IUPAC name of N-methyl-1-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidin-3-amine (CID 62536351) is N-methyl-1-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidin-3-amine.
What is the SMILES notation for N-methyl-1-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidin-3-amine?
The canonical SMILES for N-methyl-1-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidin-3-amine is CNC1CCCN(C(C)c2nc3ccccc3n2C)C1.
What is the InChIKey of N-methyl-1-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidin-3-amine?
The InChIKey is PLEBMBBKRGCDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-12(20-10-6-7-13(11-20)17-2)16-18-14-8-4-5-9-15(14)19(16)3/h4-5,8-9,12-13,17H,6-7,10-11H2,1-3H3.
What are the key properties of N-methyl-1-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidin-3-amine?
N-methyl-1-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidin-3-amine has a molecular weight of 272.40 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidin-3-amine is sourced from PubChem (CID 62536351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).