N-cyclohexyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide

C27H24Cl2N4O2 — CID 20740117

IUPACN-cyclohexyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1
InChIInChI=1S/C27H24Cl2N4O2/c28-21-12-11-20(15-22(21)29)31-26(34)17-8-6-16(7-9-17)25-32-23-13-10-18(14-24(23)33-25)27(35)30-19-4-2-1-3-5-19/h6-15,19H,1-5H2,(H,30,35)(H,31,34)(H,32,33)
InChIKeyFXDCLCNNEONCTF-UHFFFAOYSA-N
MW507.42 g/mol
LogP6.85
Rot. Bonds5

About N-cyclohexyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide

N-cyclohexyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 20740117) has the molecular formula C27H24Cl2N4O2 and a molecular weight of 507.42 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID20740117
Molecular FormulaC27H24Cl2N4O2
Molecular Weight507.42 g/mol
Exact Mass506.13
IUPAC NameN-cyclohexyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1
InChIInChI=1S/C27H24Cl2N4O2/c28-21-12-11-20(15-22(21)29)31-26(34)17-8-6-16(7-9-17)25-32-23-13-10-18(14-24(23)33-25)27(35)30-19-4-2-1-3-5-19/h6-15,19H,1-5H2,(H,30,35)(H,31,34)(H,32,33)
InChIKeyFXDCLCNNEONCTF-UHFFFAOYSA-N
XLogP6.85
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.42
LogP ≤ 56.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide (CID 20740117) is N-cyclohexyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1.
What is the InChIKey of N-cyclohexyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is FXDCLCNNEONCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl2N4O2/c28-21-12-11-20(15-22(21)29)31-26(34)17-8-6-16(7-9-17)25-32-23-13-10-18(14-24(23)33-25)27(35)30-19-4-2-1-3-5-19/h6-15,19H,1-5H2,(H,30,35)(H,31,34)(H,32,33).
What are the key properties of N-cyclohexyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
N-cyclohexyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 507.42 g/mol, XLogP of 6.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 20740117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).