N-[(3,4-dichlorophenyl)methyl]-4-(5,6-difluoro-1H-benzimidazol-2-yl)benzamide

C21H13Cl2F2N3O — CID 44534692

IUPACN-[(3,4-dichlorophenyl)methyl]-4-(5,6-difluoro-1H-benzimidazol-2-yl)benzamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1
InChIInChI=1S/C21H13Cl2F2N3O/c22-14-6-1-11(7-15(14)23)10-26-21(29)13-4-2-12(3-5-13)20-27-18-8-16(24)17(25)9-19(18)28-20/h1-9H,10H2,(H,26,29)(H,27,28)
InChIKeyJJQYYAMPFVZKDB-UHFFFAOYSA-N
MW432.26 g/mol
LogP5.74
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-4-(5,6-difluoro-1H-benzimidazol-2-yl)benzamide

N-[(3,4-dichlorophenyl)methyl]-4-(5,6-difluoro-1H-benzimidazol-2-yl)benzamide (PubChem CID 44534692) has the molecular formula C21H13Cl2F2N3O and a molecular weight of 432.26 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-4-(5,6-difluoro-1H-benzimidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-4-(5,6-difluoro-1H-benzimidazol-2-yl)benzamide
PubChem CID44534692
Molecular FormulaC21H13Cl2F2N3O
Molecular Weight432.26 g/mol
Exact Mass431.04
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-4-(5,6-difluoro-1H-benzimidazol-2-yl)benzamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1
InChIInChI=1S/C21H13Cl2F2N3O/c22-14-6-1-11(7-15(14)23)10-26-21(29)13-4-2-12(3-5-13)20-27-18-8-16(24)17(25)9-19(18)28-20/h1-9H,10H2,(H,26,29)(H,27,28)
InChIKeyJJQYYAMPFVZKDB-UHFFFAOYSA-N
XLogP5.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.26
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]benzamide
CID 44534673
4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide
CID 100579654
4-(6-chloro-1H-benzimidazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 100579855
4-[[[2-(6-fluoro-3-pyridinyl)-3H-benzimidazole-5-carbonyl]amino]methyl]benzoic acid
CID 141342688
4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
CID 135927902
2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole
CID 107989360
5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
CID 4915231
N-benzyl-2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 71717004
N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]acetamide
CID 46861752
N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide
CID 71822306
4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62537954
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-4-(5,6-difluoro-1H-benzimidazol-2-yl)benzamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-4-(5,6-difluoro-1H-benzimidazol-2-yl)benzamide (CID 44534692) is N-[(3,4-dichlorophenyl)methyl]-4-(5,6-difluoro-1H-benzimidazol-2-yl)benzamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-4-(5,6-difluoro-1H-benzimidazol-2-yl)benzamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-4-(5,6-difluoro-1H-benzimidazol-2-yl)benzamide is O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-4-(5,6-difluoro-1H-benzimidazol-2-yl)benzamide?
The InChIKey is JJQYYAMPFVZKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2F2N3O/c22-14-6-1-11(7-15(14)23)10-26-21(29)13-4-2-12(3-5-13)20-27-18-8-16(24)17(25)9-19(18)28-20/h1-9H,10H2,(H,26,29)(H,27,28).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-4-(5,6-difluoro-1H-benzimidazol-2-yl)benzamide?
N-[(3,4-dichlorophenyl)methyl]-4-(5,6-difluoro-1H-benzimidazol-2-yl)benzamide has a molecular weight of 432.26 g/mol, XLogP of 5.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-4-(5,6-difluoro-1H-benzimidazol-2-yl)benzamide is sourced from PubChem (CID 44534692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).