6-chloro-1-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]benzimidazole-4-carboxamide

C19H27ClN4O — CID 5324247

IUPAC6-chloro-1-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]benzimidazole-4-carboxamide
SMILESCC(C)CN1CCC(CNC(=O)c2cc(Cl)cc3c2ncn3C)CC1
InChIInChI=1S/C19H27ClN4O/c1-13(2)11-24-6-4-14(5-7-24)10-21-19(25)16-8-15(20)9-17-18(16)22-12-23(17)3/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,21,25)
InChIKeyKZGICVGMPQLPLX-UHFFFAOYSA-N
MW362.91 g/mol
LogP3.32
Rot. Bonds5

About 6-chloro-1-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]benzimidazole-4-carboxamide

6-chloro-1-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]benzimidazole-4-carboxamide (PubChem CID 5324247) has the molecular formula C19H27ClN4O and a molecular weight of 362.91 g/mol. Its IUPAC name is 6-chloro-1-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-chloro-1-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]benzimidazole-4-carboxamide
PubChem CID5324247
Molecular FormulaC19H27ClN4O
Molecular Weight362.91 g/mol
Exact Mass362.19
IUPAC Name6-chloro-1-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]benzimidazole-4-carboxamide
SMILESCC(C)CN1CCC(CNC(=O)c2cc(Cl)cc3c2ncn3C)CC1
InChIInChI=1S/C19H27ClN4O/c1-13(2)11-24-6-4-14(5-7-24)10-21-19(25)16-8-15(20)9-17-18(16)22-12-23(17)3/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,21,25)
InChIKeyKZGICVGMPQLPLX-UHFFFAOYSA-N
XLogP3.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-propylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
CID 9925908
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-chloro-1-propan-2-yl-4-benzimidazolecarboxamide
CID 6604794
Ucm 17197
CID 1235484
N-((2-chlorophenyl)methyl)-1-(2,5-dimethylphenyl)-1H-1,3-benzodiazole-5-carboxamide
CID 82017756
2-(1-acetylpiperidin-4-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 9925900
6-chloro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 11961010
6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-isobutyl-piperidin-4-ylmethyl)-amide
CID 10472977
1-[(3,5-dichloro-2-pyridinyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 44132339
N-[(2-chlorophenyl)methyl]-1-(3-methylphenyl)-1H-1,3-benzodiazole-5-carboxamide
CID 3614184
2-{1-[2-(diethylamino)ethyl]piperidin-4-yl}-1H-1,3-benzodiazole-4-carboxamide
CID 25190742
6-chloro-2-[1-(propan-2-yl)piperidin-4-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 25190743
1-methyl-2-(1-propylpiperidin-4-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 25190744

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]benzimidazole-4-carboxamide?
The IUPAC name of 6-chloro-1-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]benzimidazole-4-carboxamide (CID 5324247) is 6-chloro-1-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]benzimidazole-4-carboxamide.
What is the SMILES notation for 6-chloro-1-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]benzimidazole-4-carboxamide?
The canonical SMILES for 6-chloro-1-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]benzimidazole-4-carboxamide is CC(C)CN1CCC(CNC(=O)c2cc(Cl)cc3c2ncn3C)CC1.
What is the InChIKey of 6-chloro-1-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]benzimidazole-4-carboxamide?
The InChIKey is KZGICVGMPQLPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O/c1-13(2)11-24-6-4-14(5-7-24)10-21-19(25)16-8-15(20)9-17-18(16)22-12-23(17)3/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,21,25).
What are the key properties of 6-chloro-1-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]benzimidazole-4-carboxamide?
6-chloro-1-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]benzimidazole-4-carboxamide has a molecular weight of 362.91 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]benzimidazole-4-carboxamide is sourced from PubChem (CID 5324247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).