7-chloro-2-(2-chloro-6-fluorophenyl)-N-(1-propan-2-ylbenzimidazol-2-yl)-3H-benzimidazole-5-carboxamide

C24H18Cl2FN5O — CID 67379014

IUPAC7-chloro-2-(2-chloro-6-fluorophenyl)-N-(1-propan-2-ylbenzimidazol-2-yl)-3H-benzimidazole-5-carboxamide
SMILESCC(C)n1c(NC(=O)c2cc(Cl)c3nc(-c4c(F)cccc4Cl)[nH]c3c2)nc2ccccc21
InChIInChI=1S/C24H18Cl2FN5O/c1-12(2)32-19-9-4-3-8-17(19)29-24(32)31-23(33)13-10-15(26)21-18(11-13)28-22(30-21)20-14(25)6-5-7-16(20)27/h3-12H,1-2H3,(H,28,30)(H,29,31,33)
InChIKeyOALQJNWREPWFAV-UHFFFAOYSA-N
MW482.35 g/mol
LogP6.86
Rot. Bonds4

About 7-chloro-2-(2-chloro-6-fluorophenyl)-N-(1-propan-2-ylbenzimidazol-2-yl)-3H-benzimidazole-5-carboxamide

7-chloro-2-(2-chloro-6-fluorophenyl)-N-(1-propan-2-ylbenzimidazol-2-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 67379014) has the molecular formula C24H18Cl2FN5O and a molecular weight of 482.35 g/mol. Its IUPAC name is 7-chloro-2-(2-chloro-6-fluorophenyl)-N-(1-propan-2-ylbenzimidazol-2-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-2-(2-chloro-6-fluorophenyl)-N-(1-propan-2-ylbenzimidazol-2-yl)-3H-benzimidazole-5-carboxamide
PubChem CID67379014
Molecular FormulaC24H18Cl2FN5O
Molecular Weight482.35 g/mol
Exact Mass481.09
IUPAC Name7-chloro-2-(2-chloro-6-fluorophenyl)-N-(1-propan-2-ylbenzimidazol-2-yl)-3H-benzimidazole-5-carboxamide
SMILESCC(C)n1c(NC(=O)c2cc(Cl)c3nc(-c4c(F)cccc4Cl)[nH]c3c2)nc2ccccc21
InChIInChI=1S/C24H18Cl2FN5O/c1-12(2)32-19-9-4-3-8-17(19)29-24(32)31-23(33)13-10-15(26)21-18(11-13)28-22(30-21)20-14(25)6-5-7-16(20)27/h3-12H,1-2H3,(H,28,30)(H,29,31,33)
InChIKeyOALQJNWREPWFAV-UHFFFAOYSA-N
XLogP6.86
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.35
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-chloro-6-fluorophenyl)-N-(1-propan-2-ylbenzimidazol-2-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 7-chloro-2-(2-chloro-6-fluorophenyl)-N-(1-propan-2-ylbenzimidazol-2-yl)-3H-benzimidazole-5-carboxamide (CID 67379014) is 7-chloro-2-(2-chloro-6-fluorophenyl)-N-(1-propan-2-ylbenzimidazol-2-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 7-chloro-2-(2-chloro-6-fluorophenyl)-N-(1-propan-2-ylbenzimidazol-2-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 7-chloro-2-(2-chloro-6-fluorophenyl)-N-(1-propan-2-ylbenzimidazol-2-yl)-3H-benzimidazole-5-carboxamide is CC(C)n1c(NC(=O)c2cc(Cl)c3nc(-c4c(F)cccc4Cl)[nH]c3c2)nc2ccccc21.
What is the InChIKey of 7-chloro-2-(2-chloro-6-fluorophenyl)-N-(1-propan-2-ylbenzimidazol-2-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is OALQJNWREPWFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2FN5O/c1-12(2)32-19-9-4-3-8-17(19)29-24(32)31-23(33)13-10-15(26)21-18(11-13)28-22(30-21)20-14(25)6-5-7-16(20)27/h3-12H,1-2H3,(H,28,30)(H,29,31,33).
What are the key properties of 7-chloro-2-(2-chloro-6-fluorophenyl)-N-(1-propan-2-ylbenzimidazol-2-yl)-3H-benzimidazole-5-carboxamide?
7-chloro-2-(2-chloro-6-fluorophenyl)-N-(1-propan-2-ylbenzimidazol-2-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 482.35 g/mol, XLogP of 6.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-chloro-6-fluorophenyl)-N-(1-propan-2-ylbenzimidazol-2-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 67379014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).