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

C28H26Cl2N4O2 — CID 20740099

IUPACN-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1
InChIInChI=1S/C28H26Cl2N4O2/c29-22-13-12-21(16-23(22)30)32-27(35)18-9-7-17(8-10-18)26-33-24-14-11-19(15-25(24)34-26)28(36)31-20-5-3-1-2-4-6-20/h7-16,20H,1-6H2,(H,31,36)(H,32,35)(H,33,34)
InChIKeyYVRNEKJTIKMLRZ-UHFFFAOYSA-N
MW521.45 g/mol
LogP7.24
Rot. Bonds5

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

N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 20740099) has the molecular formula C28H26Cl2N4O2 and a molecular weight of 521.45 g/mol. Its IUPAC name is N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID20740099
Molecular FormulaC28H26Cl2N4O2
Molecular Weight521.45 g/mol
Exact Mass520.14
IUPAC NameN-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1
InChIInChI=1S/C28H26Cl2N4O2/c29-22-13-12-21(16-23(22)30)32-27(35)18-9-7-17(8-10-18)26-33-24-14-11-19(15-25(24)34-26)28(36)31-20-5-3-1-2-4-6-20/h7-16,20H,1-6H2,(H,31,36)(H,32,35)(H,33,34)
InChIKeyYVRNEKJTIKMLRZ-UHFFFAOYSA-N
XLogP7.24
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.45
LogP ≤ 57.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide (CID 20740099) is N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1.
What is the InChIKey of N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is YVRNEKJTIKMLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2N4O2/c29-22-13-12-21(16-23(22)30)32-27(35)18-9-7-17(8-10-18)26-33-24-14-11-19(15-25(24)34-26)28(36)31-20-5-3-1-2-4-6-20/h7-16,20H,1-6H2,(H,31,36)(H,32,35)(H,33,34).
What are the key properties of N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 521.45 g/mol, XLogP of 7.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 20740099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).