2-[[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-3,5-dimethyl-1H-pyridin-4-one

C17H19ClN4O — CID 134709787

IUPAC2-[[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-3,5-dimethyl-1H-pyridin-4-one
SMILESCc1c[nH]c(CN(C)Cc2nc3ccc(Cl)cc3[nH]2)c(C)c1=O
InChIInChI=1S/C17H19ClN4O/c1-10-7-19-15(11(2)17(10)23)8-22(3)9-16-20-13-5-4-12(18)6-14(13)21-16/h4-7H,8-9H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyLKQITUOVLCQULU-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.15
Rot. Bonds4

About 2-[[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-3,5-dimethyl-1H-pyridin-4-one

2-[[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-3,5-dimethyl-1H-pyridin-4-one (PubChem CID 134709787) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-[[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-3,5-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-3,5-dimethyl-1H-pyridin-4-one
PubChem CID134709787
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name2-[[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-3,5-dimethyl-1H-pyridin-4-one
SMILESCc1c[nH]c(CN(C)Cc2nc3ccc(Cl)cc3[nH]2)c(C)c1=O
InChIInChI=1S/C17H19ClN4O/c1-10-7-19-15(11(2)17(10)23)8-22(3)9-16-20-13-5-4-12(18)6-14(13)21-16/h4-7H,8-9H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyLKQITUOVLCQULU-UHFFFAOYSA-N
XLogP3.15
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-3,5-dimethyl-1H-pyridin-4-one with MolForge

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Related Compounds

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 82335889
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate
CID 57361833
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide
CID 131946800
2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
CID 64725128
1-(azepan-1-yl)-2-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]ethanone
CID 134696462
3,5-dimethyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-pyridin-4-one
CID 91829240
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(2-piperidin-1-ylpyrimidin-5-yl)methanamine
CID 77081615
2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 171916049
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)acetamide
CID 72936130
3-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(2,5-difluorophenyl)propanamide
CID 91829665
6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid
CID 134703059
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,6,7-trimethyl-4-oxochromene-2-carboxamide
CID 46964846

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-3,5-dimethyl-1H-pyridin-4-one?
The IUPAC name of 2-[[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-3,5-dimethyl-1H-pyridin-4-one (CID 134709787) is 2-[[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-3,5-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 2-[[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-3,5-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 2-[[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-3,5-dimethyl-1H-pyridin-4-one is Cc1c[nH]c(CN(C)Cc2nc3ccc(Cl)cc3[nH]2)c(C)c1=O.
What is the InChIKey of 2-[[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-3,5-dimethyl-1H-pyridin-4-one?
The InChIKey is LKQITUOVLCQULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-10-7-19-15(11(2)17(10)23)8-22(3)9-16-20-13-5-4-12(18)6-14(13)21-16/h4-7H,8-9H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of 2-[[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-3,5-dimethyl-1H-pyridin-4-one?
2-[[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-3,5-dimethyl-1H-pyridin-4-one has a molecular weight of 330.82 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-3,5-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 134709787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).