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

C23H17ClF2N4O — CID 137464162

IUPAC3-chloro-N-[5-[1-(4,6-difluoro-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(C2(c3nc4c(F)cc(F)cc4[nH]3)CCC2)cn1)c1cccc(Cl)c1
InChIInChI=1S/C23H17ClF2N4O/c24-15-4-1-3-13(9-15)21(31)29-19-6-5-14(12-27-19)23(7-2-8-23)22-28-18-11-16(25)10-17(26)20(18)30-22/h1,3-6,9-12H,2,7-8H2,(H,28,30)(H,27,29,31)
InChIKeyVPHJWNDKDMTLOO-UHFFFAOYSA-N
MW438.87 g/mol
LogP5.61
Rot. Bonds4

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

3-chloro-N-[5-[1-(4,6-difluoro-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide (PubChem CID 137464162) has the molecular formula C23H17ClF2N4O and a molecular weight of 438.87 g/mol. Its IUPAC name is 3-chloro-N-[5-[1-(4,6-difluoro-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-[1-(4,6-difluoro-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide
PubChem CID137464162
Molecular FormulaC23H17ClF2N4O
Molecular Weight438.87 g/mol
Exact Mass438.11
IUPAC Name3-chloro-N-[5-[1-(4,6-difluoro-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(C2(c3nc4c(F)cc(F)cc4[nH]3)CCC2)cn1)c1cccc(Cl)c1
InChIInChI=1S/C23H17ClF2N4O/c24-15-4-1-3-13(9-15)21(31)29-19-6-5-14(12-27-19)23(7-2-8-23)22-28-18-11-16(25)10-17(26)20(18)30-22/h1,3-6,9-12H,2,7-8H2,(H,28,30)(H,27,29,31)
InChIKeyVPHJWNDKDMTLOO-UHFFFAOYSA-N
XLogP5.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.87
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[5-[1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide
CID 137464277
N-[5-[1-(6-chloro-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]-3-cyanobenzamide
CID 137463954
N-[5-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-2-pyridinyl]-5-fluoropyridine-3-carboxamide
CID 137464366
N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]-3,4-difluorobenzamide
CID 138543815
3-chloro-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide
CID 113044397
N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113033286
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465
N-[5-[1-(hydroxymethyl)cyclobutyl]-2-pyridinyl]-3-methylbenzamide
CID 142525007
3-chloro-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 38139828
3-chloro-N-[5-(quinolin-8-ylamino)-2-pyridinyl]benzamide
CID 113036320
3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
CID 113024131
2-N,6-N-bis(5-chloro-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 3421113

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-[1-(4,6-difluoro-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-[5-[1-(4,6-difluoro-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide (CID 137464162) is 3-chloro-N-[5-[1-(4,6-difluoro-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-[1-(4,6-difluoro-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-[5-[1-(4,6-difluoro-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide is O=C(Nc1ccc(C2(c3nc4c(F)cc(F)cc4[nH]3)CCC2)cn1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[5-[1-(4,6-difluoro-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide?
The InChIKey is VPHJWNDKDMTLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF2N4O/c24-15-4-1-3-13(9-15)21(31)29-19-6-5-14(12-27-19)23(7-2-8-23)22-28-18-11-16(25)10-17(26)20(18)30-22/h1,3-6,9-12H,2,7-8H2,(H,28,30)(H,27,29,31).
What are the key properties of 3-chloro-N-[5-[1-(4,6-difluoro-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide?
3-chloro-N-[5-[1-(4,6-difluoro-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide has a molecular weight of 438.87 g/mol, XLogP of 5.61, 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-difluoro-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 137464162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).