2-chloro-N-[1-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide

C25H23ClN4O2 — CID 17029838

IUPAC2-chloro-N-[1-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1cccc(NC(=O)Cn2c(C(C)NC(=O)c3ccccc3Cl)nc3ccccc32)c1
InChIInChI=1S/C25H23ClN4O2/c1-16-8-7-9-18(14-16)28-23(31)15-30-22-13-6-5-12-21(22)29-24(30)17(2)27-25(32)19-10-3-4-11-20(19)26/h3-14,17H,15H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyQQIVDYKMOZFTJQ-UHFFFAOYSA-N
MW446.94 g/mol
LogP5.13
Rot. Bonds6

About 2-chloro-N-[1-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide

2-chloro-N-[1-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17029838) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is 2-chloro-N-[1-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID17029838
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC Name2-chloro-N-[1-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1cccc(NC(=O)Cn2c(C(C)NC(=O)c3ccccc3Cl)nc3ccccc32)c1
InChIInChI=1S/C25H23ClN4O2/c1-16-8-7-9-18(14-16)28-23(31)15-30-22-13-6-5-12-21(22)29-24(30)17(2)27-25(32)19-10-3-4-11-20(19)26/h3-14,17H,15H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyQQIVDYKMOZFTJQ-UHFFFAOYSA-N
XLogP5.13
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.94
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029844
2-chloro-N-[1-[1-[2-(2-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029834
N-[1-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 17029694
2-methyl-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029795
4-chloro-N-[1-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029611
N-[1-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 5109311
N-[1-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide
CID 3949916
4-methyl-N-[(1S)-1-[1-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 98405693
N-(3-chlorophenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
CID 112787812
N-[1-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 17029810
N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967031
2-chloro-N-[1-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967678

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[1-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (CID 17029838) is 2-chloro-N-[1-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is Cc1cccc(NC(=O)Cn2c(C(C)NC(=O)c3ccccc3Cl)nc3ccccc32)c1.
What is the InChIKey of 2-chloro-N-[1-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is QQIVDYKMOZFTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c1-16-8-7-9-18(14-16)28-23(31)15-30-22-13-6-5-12-21(22)29-24(30)17(2)27-25(32)19-10-3-4-11-20(19)26/h3-14,17H,15H2,1-2H3,(H,27,32)(H,28,31).
What are the key properties of 2-chloro-N-[1-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
2-chloro-N-[1-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 446.94 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17029838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).