3-chloro-N-[5-[1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide

C25H23ClN4O — CID 137464277

IUPAC3-chloro-N-[5-[1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide
SMILESCc1cc(C)c2nc(C3(c4ccc(NC(=O)c5cccc(Cl)c5)nc4)CCC3)[nH]c2c1
InChIInChI=1S/C25H23ClN4O/c1-15-11-16(2)22-20(12-15)28-24(30-22)25(9-4-10-25)18-7-8-21(27-14-18)29-23(31)17-5-3-6-19(26)13-17/h3,5-8,11-14H,4,9-10H2,1-2H3,(H,28,30)(H,27,29,31)
InChIKeyWIZRWZHVDKEJTJ-UHFFFAOYSA-N
MW430.94 g/mol
LogP5.95
Rot. Bonds4

About 3-chloro-N-[5-[1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide

3-chloro-N-[5-[1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide (PubChem CID 137464277) has the molecular formula C25H23ClN4O and a molecular weight of 430.94 g/mol. Its IUPAC name is 3-chloro-N-[5-[1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-[1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide
PubChem CID137464277
Molecular FormulaC25H23ClN4O
Molecular Weight430.94 g/mol
Exact Mass430.16
IUPAC Name3-chloro-N-[5-[1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide
SMILESCc1cc(C)c2nc(C3(c4ccc(NC(=O)c5cccc(Cl)c5)nc4)CCC3)[nH]c2c1
InChIInChI=1S/C25H23ClN4O/c1-15-11-16(2)22-20(12-15)28-24(30-22)25(9-4-10-25)18-7-8-21(27-14-18)29-23(31)17-5-3-6-19(26)13-17/h3,5-8,11-14H,4,9-10H2,1-2H3,(H,28,30)(H,27,29,31)
InChIKeyWIZRWZHVDKEJTJ-UHFFFAOYSA-N
XLogP5.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.94
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[5-[1-(4,6-difluoro-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide
CID 137464162
N-[5-[1-(6-chloro-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]-3-cyanobenzamide
CID 137463954
N-[5-[1-(hydroxymethyl)cyclobutyl]-2-pyridinyl]-3-methylbenzamide
CID 142525007
N-[5-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-2-pyridinyl]-5-fluoropyridine-3-carboxamide
CID 137464366
3-chloro-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzamide
CID 113026717
3-chloro-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide
CID 113044397
3-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide
CID 113016786
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465
3-chloro-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 38139828
2,6-dimethyl-N-(5-methyl-2-pyridinyl)-1H-benzimidazole-4-carboxamide
CID 58146258
3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
CID 113024131
3,5-dichloro-N-(5-methyl-2-pyridinyl)benzamide
CID 5063171

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-[1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-[5-[1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide (CID 137464277) is 3-chloro-N-[5-[1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-[1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-[5-[1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide is Cc1cc(C)c2nc(C3(c4ccc(NC(=O)c5cccc(Cl)c5)nc4)CCC3)[nH]c2c1.
What is the InChIKey of 3-chloro-N-[5-[1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide?
The InChIKey is WIZRWZHVDKEJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O/c1-15-11-16(2)22-20(12-15)28-24(30-22)25(9-4-10-25)18-7-8-21(27-14-18)29-23(31)17-5-3-6-19(26)13-17/h3,5-8,11-14H,4,9-10H2,1-2H3,(H,28,30)(H,27,29,31).
What are the key properties of 3-chloro-N-[5-[1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide?
3-chloro-N-[5-[1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide has a molecular weight of 430.94 g/mol, XLogP of 5.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-[1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 137464277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).