N-[2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]-3,4-dichlorobenzamide

C28H24Cl2N4O2 — CID 10301567

IUPACN-[2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]-3,4-dichlorobenzamide
SMILESO=C(Nc1ccc2nc(-c3ccc(C(=O)NC4CC5CCC4C5)cc3)[nH]c2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C28H24Cl2N4O2/c29-21-9-7-19(13-22(21)30)28(36)31-20-8-10-23-25(14-20)33-26(32-23)16-3-5-17(6-4-16)27(35)34-24-12-15-1-2-18(24)11-15/h3-10,13-15,18,24H,1-2,11-12H2,(H,31,36)(H,32,33)(H,34,35)
InChIKeyMKENOOCQEKMGTJ-UHFFFAOYSA-N
MW519.43 g/mol
LogP6.71
Rot. Bonds5

About N-[2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]-3,4-dichlorobenzamide

N-[2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]-3,4-dichlorobenzamide (PubChem CID 10301567) has the molecular formula C28H24Cl2N4O2 and a molecular weight of 519.43 g/mol. Its IUPAC name is N-[2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]-3,4-dichlorobenzamide
PubChem CID10301567
Molecular FormulaC28H24Cl2N4O2
Molecular Weight519.43 g/mol
Exact Mass518.13
IUPAC NameN-[2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]-3,4-dichlorobenzamide
SMILESO=C(Nc1ccc2nc(-c3ccc(C(=O)NC4CC5CCC4C5)cc3)[nH]c2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C28H24Cl2N4O2/c29-21-9-7-19(13-22(21)30)28(36)31-20-8-10-23-25(14-20)33-26(32-23)16-3-5-17(6-4-16)27(35)34-24-12-15-1-2-18(24)11-15/h3-10,13-15,18,24H,1-2,11-12H2,(H,31,36)(H,32,33)(H,34,35)
InChIKeyMKENOOCQEKMGTJ-UHFFFAOYSA-N
XLogP6.71
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.43
LogP ≤ 56.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]-3,4-dichlorobenzamide?
The IUPAC name of N-[2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]-3,4-dichlorobenzamide (CID 10301567) is N-[2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]-3,4-dichlorobenzamide is O=C(Nc1ccc2nc(-c3ccc(C(=O)NC4CC5CCC4C5)cc3)[nH]c2c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]-3,4-dichlorobenzamide?
The InChIKey is MKENOOCQEKMGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N4O2/c29-21-9-7-19(13-22(21)30)28(36)31-20-8-10-23-25(14-20)33-26(32-23)16-3-5-17(6-4-16)27(35)34-24-12-15-1-2-18(24)11-15/h3-10,13-15,18,24H,1-2,11-12H2,(H,31,36)(H,32,33)(H,34,35).
What are the key properties of N-[2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]-3,4-dichlorobenzamide?
N-[2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]-3,4-dichlorobenzamide has a molecular weight of 519.43 g/mol, XLogP of 6.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]-3,4-dichlorobenzamide is sourced from PubChem (CID 10301567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).