N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine

C16H18N4 — CID 92561496

IUPACN-(1H-benzimidazol-2-ylmethyl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
SMILESCc1cccc(CN(C)Cc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C16H18N4/c1-12-6-5-7-13(17-12)10-20(2)11-16-18-14-8-3-4-9-15(14)19-16/h3-9H,10-11H2,1-2H3,(H,18,19)
InChIKeyVCCANNQPXMKZSV-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.90
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine

N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine (PubChem CID 92561496) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
PubChem CID92561496
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
SMILESCc1cccc(CN(C)Cc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C16H18N4/c1-12-6-5-7-13(17-12)10-20(2)11-16-18-14-8-3-4-9-15(14)19-16/h3-9H,10-11H2,1-2H3,(H,18,19)
InChIKeyVCCANNQPXMKZSV-UHFFFAOYSA-N
XLogP2.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 115319140
N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine
CID 58884472
3-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 56703370
N'-hydroxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]ethanimidamide
CID 79267709
N-(1H-benzimidazol-2-ylmethyl)-1-[2-(cyclopentylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 74236272
N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide
CID 36516617
N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-N-methylbenzenesulfonamide
CID 35385353
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
1H-benzimidazol-2-ylmethanamine;hydrate
CID 23192500
2-N,3-N-bis(1H-benzimidazol-2-ylmethyl)-2-N,3-N-dimethyl-1,4-diphenylbutane-2,3-diamine
CID 175787305
tert-butyl N-[2-[1H-benzimidazol-2-ylmethyl(methyl)amino]ethyl]-N-methylcarbamate
CID 54238697
N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79267853

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine (CID 92561496) is N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine is Cc1cccc(CN(C)Cc2nc3ccccc3[nH]2)n1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine?
The InChIKey is VCCANNQPXMKZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-12-6-5-7-13(17-12)10-20(2)11-16-18-14-8-3-4-9-15(14)19-16/h3-9H,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine?
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine has a molecular weight of 266.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 92561496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).