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

C21H14Cl2N4O2 — CID 11441679

IUPAC2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(C(=O)Nc4ccc(Cl)c(Cl)c4)cc3)[nH]c2c1
InChIInChI=1S/C21H14Cl2N4O2/c22-15-7-6-14(10-16(15)23)25-21(29)12-3-1-11(2-4-12)20-26-17-8-5-13(19(24)28)9-18(17)27-20/h1-10H,(H2,24,28)(H,25,29)(H,26,27)
InChIKeyDPMHKWDGDZUJNW-UHFFFAOYSA-N
MW425.28 g/mol
LogP4.89
Rot. Bonds4

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

2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11441679) has the molecular formula C21H14Cl2N4O2 and a molecular weight of 425.28 g/mol. Its IUPAC name is 2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11441679
Molecular FormulaC21H14Cl2N4O2
Molecular Weight425.28 g/mol
Exact Mass424.05
IUPAC Name2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(C(=O)Nc4ccc(Cl)c(Cl)c4)cc3)[nH]c2c1
InChIInChI=1S/C21H14Cl2N4O2/c22-15-7-6-14(10-16(15)23)25-21(29)12-3-1-11(2-4-12)20-26-17-8-5-13(19(24)28)9-18(17)27-20/h1-10H,(H2,24,28)(H,25,29)(H,26,27)
InChIKeyDPMHKWDGDZUJNW-UHFFFAOYSA-N
XLogP4.89
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.28
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide (CID 11441679) is 2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(C(=O)Nc4ccc(Cl)c(Cl)c4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is DPMHKWDGDZUJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N4O2/c22-15-7-6-14(10-16(15)23)25-21(29)12-3-1-11(2-4-12)20-26-17-8-5-13(19(24)28)9-18(17)27-20/h1-10H,(H2,24,28)(H,25,29)(H,26,27).
What are the key properties of 2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 425.28 g/mol, XLogP of 4.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11441679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).