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

C25H23ClN4O3 — CID 17030763

IUPAC2-chloro-N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCOc1ccccc1NC(=O)Cn1c(CCNC(=O)c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C25H23ClN4O3/c1-33-22-13-7-5-11-20(22)29-24(31)16-30-21-12-6-4-10-19(21)28-23(30)14-15-27-25(32)17-8-2-3-9-18(17)26/h2-13H,14-16H2,1H3,(H,27,32)(H,29,31)
InChIKeyLVLSOFDJSHVOGT-UHFFFAOYSA-N
MW462.94 g/mol
LogP4.31
Rot. Bonds8

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

2-chloro-N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17030763) has the molecular formula C25H23ClN4O3 and a molecular weight of 462.94 g/mol. Its IUPAC name is 2-chloro-N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID17030763
Molecular FormulaC25H23ClN4O3
Molecular Weight462.94 g/mol
Exact Mass462.15
IUPAC Name2-chloro-N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCOc1ccccc1NC(=O)Cn1c(CCNC(=O)c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C25H23ClN4O3/c1-33-22-13-7-5-11-20(22)29-24(31)16-30-21-12-6-4-10-19(21)28-23(30)14-15-27-25(32)17-8-2-3-9-18(17)26/h2-13H,14-16H2,1H3,(H,27,32)(H,29,31)
InChIKeyLVLSOFDJSHVOGT-UHFFFAOYSA-N
XLogP4.31
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 17030325
2-(2-ethylbenzimidazol-1-yl)-N-(2-methoxyphenyl)acetamide
CID 5023490
2-chloro-N-[3-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031504
methyl 2-[2-[2-[(2-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16976330
2-chloro-N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]benzamide
CID 16976181
N-(2-methoxyphenyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 17426644
2-chloro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982749
2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976029
2-methyl-N-[3-[1-[2-(2-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031446
N-[2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16976311
2-chloro-N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031501
N-(2-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032255

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (CID 17030763) is 2-chloro-N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is COc1ccccc1NC(=O)Cn1c(CCNC(=O)c2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 2-chloro-N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is LVLSOFDJSHVOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3/c1-33-22-13-7-5-11-20(22)29-24(31)16-30-21-12-6-4-10-19(21)28-23(30)14-15-27-25(32)17-8-2-3-9-18(17)26/h2-13H,14-16H2,1H3,(H,27,32)(H,29,31).
What are the key properties of 2-chloro-N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
2-chloro-N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 462.94 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17030763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).