N-[2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide

C30H24Cl2N4O5 — CID 20694894

IUPACN-[2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)c5c(Cl)cccc5Cl)cc4)[nH]c3c2)cc(OC)c1OC
InChIInChI=1S/C30H24Cl2N4O5/c1-39-24-13-17(14-25(40-2)27(24)41-3)29(37)34-19-11-12-22-23(15-19)36-28(35-22)16-7-9-18(10-8-16)33-30(38)26-20(31)5-4-6-21(26)32/h4-15H,1-3H3,(H,33,38)(H,34,37)(H,35,36)
InChIKeyXKHPKELZDLGZFM-UHFFFAOYSA-N
MW591.45 g/mol
LogP7.07
Rot. Bonds8

About N-[2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide

N-[2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide (PubChem CID 20694894) has the molecular formula C30H24Cl2N4O5 and a molecular weight of 591.45 g/mol. Its IUPAC name is N-[2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide
PubChem CID20694894
Molecular FormulaC30H24Cl2N4O5
Molecular Weight591.45 g/mol
Exact Mass590.11
IUPAC NameN-[2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)c5c(Cl)cccc5Cl)cc4)[nH]c3c2)cc(OC)c1OC
InChIInChI=1S/C30H24Cl2N4O5/c1-39-24-13-17(14-25(40-2)27(24)41-3)29(37)34-19-11-12-22-23(15-19)36-28(35-22)16-7-9-18(10-8-16)33-30(38)26-20(31)5-4-6-21(26)32/h4-15H,1-3H3,(H,33,38)(H,34,37)(H,35,36)
InChIKeyXKHPKELZDLGZFM-UHFFFAOYSA-N
XLogP7.07
TPSA114.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.45
LogP ≤ 57.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide (CID 20694894) is N-[2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)c5c(Cl)cccc5Cl)cc4)[nH]c3c2)cc(OC)c1OC.
What is the InChIKey of N-[2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is XKHPKELZDLGZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24Cl2N4O5/c1-39-24-13-17(14-25(40-2)27(24)41-3)29(37)34-19-11-12-22-23(15-19)36-28(35-22)16-7-9-18(10-8-16)33-30(38)26-20(31)5-4-6-21(26)32/h4-15H,1-3H3,(H,33,38)(H,34,37)(H,35,36).
What are the key properties of N-[2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide?
N-[2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 591.45 g/mol, XLogP of 7.07, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 20694894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).