N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)benzimidazol-2-yl]methanamine

C16H24N4 — CID 82311900

IUPACN,N-dimethyl-1-[1-(piperidin-3-ylmethyl)benzimidazol-2-yl]methanamine
SMILESCN(C)Cc1nc2ccccc2n1CC1CCCNC1
InChIInChI=1S/C16H24N4/c1-19(2)12-16-18-14-7-3-4-8-15(14)20(16)11-13-6-5-9-17-10-13/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3
InChIKeyZCLXGHMRWGCHRG-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.10
Rot. Bonds4

About N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)benzimidazol-2-yl]methanamine

N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)benzimidazol-2-yl]methanamine (PubChem CID 82311900) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)benzimidazol-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-(piperidin-3-ylmethyl)benzimidazol-2-yl]methanamine
PubChem CID82311900
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN,N-dimethyl-1-[1-(piperidin-3-ylmethyl)benzimidazol-2-yl]methanamine
SMILESCN(C)Cc1nc2ccccc2n1CC1CCCNC1
InChIInChI=1S/C16H24N4/c1-19(2)12-16-18-14-7-3-4-8-15(14)20(16)11-13-6-5-9-17-10-13/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3
InChIKeyZCLXGHMRWGCHRG-UHFFFAOYSA-N
XLogP2.10
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Lerisetron
CID 65997
2-Methylbenzimidazole
CID 11984
Benzimidazole, 2-butyl-
CID 22122
2-Ethylbenzimidazole
CID 15807
1H-Benzimidazole-2-methanamine
CID 145820
2-(pyridin-3-yl)-1H-1,3-benzodiazole
CID 247635
Tecastemizole
CID 123618
2-tert-Butylbenzimidazole
CID 32366
1-ethyl-1H-1,3-benzodiazol-2-amine
CID 595193
1H-Benzimidazole-2-pentanamine
CID 162387
2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
Bms 345541
CID 9926054

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)benzimidazol-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)benzimidazol-2-yl]methanamine (CID 82311900) is N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)benzimidazol-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)benzimidazol-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)benzimidazol-2-yl]methanamine is CN(C)Cc1nc2ccccc2n1CC1CCCNC1.
What is the InChIKey of N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)benzimidazol-2-yl]methanamine?
The InChIKey is ZCLXGHMRWGCHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-19(2)12-16-18-14-7-3-4-8-15(14)20(16)11-13-6-5-9-17-10-13/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)benzimidazol-2-yl]methanamine?
N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)benzimidazol-2-yl]methanamine has a molecular weight of 272.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)benzimidazol-2-yl]methanamine is sourced from PubChem (CID 82311900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).