3,4-dichloro-N-[2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide

C28H26Cl2N4O2 — CID 10301664

IUPAC3,4-dichloro-N-[2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide
SMILESO=C(Nc1ccc2nc(-c3ccc(C(=O)NC4CCCCCC4)cc3)[nH]c2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C28H26Cl2N4O2/c29-22-13-11-19(15-23(22)30)28(36)32-21-12-14-24-25(16-21)34-26(33-24)17-7-9-18(10-8-17)27(35)31-20-5-3-1-2-4-6-20/h7-16,20H,1-6H2,(H,31,35)(H,32,36)(H,33,34)
InChIKeyUXUNAEZJRDMDRT-UHFFFAOYSA-N
MW521.45 g/mol
LogP7.24
Rot. Bonds5

About 3,4-dichloro-N-[2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide

3,4-dichloro-N-[2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide (PubChem CID 10301664) has the molecular formula C28H26Cl2N4O2 and a molecular weight of 521.45 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide
PubChem CID10301664
Molecular FormulaC28H26Cl2N4O2
Molecular Weight521.45 g/mol
Exact Mass520.14
IUPAC Name3,4-dichloro-N-[2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide
SMILESO=C(Nc1ccc2nc(-c3ccc(C(=O)NC4CCCCCC4)cc3)[nH]c2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C28H26Cl2N4O2/c29-22-13-11-19(15-23(22)30)28(36)32-21-12-14-24-25(16-21)34-26(33-24)17-7-9-18(10-8-17)27(35)31-20-5-3-1-2-4-6-20/h7-16,20H,1-6H2,(H,31,35)(H,32,36)(H,33,34)
InChIKeyUXUNAEZJRDMDRT-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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide (CID 10301664) is 3,4-dichloro-N-[2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide is O=C(Nc1ccc2nc(-c3ccc(C(=O)NC4CCCCCC4)cc3)[nH]c2c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide?
The InChIKey is UXUNAEZJRDMDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2N4O2/c29-22-13-11-19(15-23(22)30)28(36)32-21-12-14-24-25(16-21)34-26(33-24)17-7-9-18(10-8-17)27(35)31-20-5-3-1-2-4-6-20/h7-16,20H,1-6H2,(H,31,35)(H,32,36)(H,33,34).
What are the key properties of 3,4-dichloro-N-[2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide?
3,4-dichloro-N-[2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide 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 3,4-dichloro-N-[2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 10301664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).