2-(2,6-dichloro-4-methoxyphenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide

C24H16Cl2N4O2 — CID 173123224

IUPAC2-(2,6-dichloro-4-methoxyphenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
SMILESCOc1cc(Cl)c(-c2nc3ccc(C(=O)Nc4ccc5ccccc5n4)cc3[nH]2)c(Cl)c1
InChIInChI=1S/C24H16Cl2N4O2/c1-32-15-11-16(25)22(17(26)12-15)23-28-19-8-6-14(10-20(19)29-23)24(31)30-21-9-7-13-4-2-3-5-18(13)27-21/h2-12H,1H3,(H,28,29)(H,27,30,31)
InChIKeyFCCHWTKPZAVYAB-UHFFFAOYSA-N
MW463.32 g/mol
LogP6.35
Rot. Bonds4

About 2-(2,6-dichloro-4-methoxyphenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide

2-(2,6-dichloro-4-methoxyphenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide (PubChem CID 173123224) has the molecular formula C24H16Cl2N4O2 and a molecular weight of 463.32 g/mol. Its IUPAC name is 2-(2,6-dichloro-4-methoxyphenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloro-4-methoxyphenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
PubChem CID173123224
Molecular FormulaC24H16Cl2N4O2
Molecular Weight463.32 g/mol
Exact Mass462.07
IUPAC Name2-(2,6-dichloro-4-methoxyphenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
SMILESCOc1cc(Cl)c(-c2nc3ccc(C(=O)Nc4ccc5ccccc5n4)cc3[nH]2)c(Cl)c1
InChIInChI=1S/C24H16Cl2N4O2/c1-32-15-11-16(25)22(17(26)12-15)23-28-19-8-6-14(10-20(19)29-23)24(31)30-21-9-7-13-4-2-3-5-18(13)27-21/h2-12H,1H3,(H,28,29)(H,27,30,31)
InChIKeyFCCHWTKPZAVYAB-UHFFFAOYSA-N
XLogP6.35
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.32
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3,5-dichloro-4-[6-(quinolin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenoxy]acetate
CID 66965705
2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
CID 66965626
2-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 25066986
N-quinolin-2-ylnaphthalene-2-carboxamide
CID 46811579
2-[4-(2-diethoxyphosphorylethenyl)-2,6-dimethylphenyl]-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
CID 91558660
2-quinolin-2-yl-1-[2-(2,4,6-trichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 58156130
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]quinoline-2-carboxamide
CID 58156302
2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 66965567
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
CID 742047
2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
CID 160994973
methyl 2-[3,5-dichloro-4-[6-[(4-methylcyclohepta-1,3,5-trien-1-yl)carbamoyl]-1H-benzimidazol-2-yl]phenoxy]acetate
CID 143659583

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-4-methoxyphenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichloro-4-methoxyphenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide (CID 173123224) is 2-(2,6-dichloro-4-methoxyphenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichloro-4-methoxyphenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichloro-4-methoxyphenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide is COc1cc(Cl)c(-c2nc3ccc(C(=O)Nc4ccc5ccccc5n4)cc3[nH]2)c(Cl)c1.
What is the InChIKey of 2-(2,6-dichloro-4-methoxyphenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide?
The InChIKey is FCCHWTKPZAVYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N4O2/c1-32-15-11-16(25)22(17(26)12-15)23-28-19-8-6-14(10-20(19)29-23)24(31)30-21-9-7-13-4-2-3-5-18(13)27-21/h2-12H,1H3,(H,28,29)(H,27,30,31).
What are the key properties of 2-(2,6-dichloro-4-methoxyphenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide?
2-(2,6-dichloro-4-methoxyphenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 463.32 g/mol, XLogP of 6.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-4-methoxyphenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 173123224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).