N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide

C30H24Cl2N4O5 — CID 20694969

IUPACN-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(Cl)cc5Cl)cc4[nH]3)cc2)cc(OC)c1OC
InChIInChI=1S/C30H24Cl2N4O5/c1-39-25-12-17(13-26(40-2)27(25)41-3)29(37)33-19-7-4-16(5-8-19)28-35-23-11-9-20(15-24(23)36-28)34-30(38)21-10-6-18(31)14-22(21)32/h4-15H,1-3H3,(H,33,37)(H,34,38)(H,35,36)
InChIKeyLNEIQMOCEZVJNP-UHFFFAOYSA-N
MW591.45 g/mol
LogP7.07
Rot. Bonds8

About N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide

N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 20694969) has the molecular formula C30H24Cl2N4O5 and a molecular weight of 591.45 g/mol. Its IUPAC name is N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide
PubChem CID20694969
Molecular FormulaC30H24Cl2N4O5
Molecular Weight591.45 g/mol
Exact Mass590.11
IUPAC NameN-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(Cl)cc5Cl)cc4[nH]3)cc2)cc(OC)c1OC
InChIInChI=1S/C30H24Cl2N4O5/c1-39-25-12-17(13-26(40-2)27(25)41-3)29(37)33-19-7-4-16(5-8-19)28-35-23-11-9-20(15-24(23)36-28)34-30(38)21-10-6-18(31)14-22(21)32/h4-15H,1-3H3,(H,33,37)(H,34,38)(H,35,36)
InChIKeyLNEIQMOCEZVJNP-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-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide (CID 20694969) is N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(Cl)cc5Cl)cc4[nH]3)cc2)cc(OC)c1OC.
What is the InChIKey of N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is LNEIQMOCEZVJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24Cl2N4O5/c1-39-25-12-17(13-26(40-2)27(25)41-3)29(37)33-19-7-4-16(5-8-19)28-35-23-11-9-20(15-24(23)36-28)34-30(38)21-10-6-18(31)14-22(21)32/h4-15H,1-3H3,(H,33,37)(H,34,38)(H,35,36).
What are the key properties of N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide?
N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-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-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 20694969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).