4-chloro-N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]benzamide

C19H18ClN3O2 — CID 17009138

IUPAC4-chloro-N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]benzamide
SMILESCC(=O)C(C)n1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C19H18ClN3O2/c1-12(13(2)24)23-17-6-4-3-5-16(17)22-18(23)11-21-19(25)14-7-9-15(20)10-8-14/h3-10,12H,11H2,1-2H3,(H,21,25)
InChIKeyZANGGVCNDBWPHY-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.77
Rot. Bonds5

About 4-chloro-N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]benzamide

4-chloro-N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]benzamide (PubChem CID 17009138) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 4-chloro-N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]benzamide
PubChem CID17009138
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name4-chloro-N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]benzamide
SMILESCC(=O)C(C)n1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C19H18ClN3O2/c1-12(13(2)24)23-17-6-4-3-5-16(17)22-18(23)11-21-19(25)14-7-9-15(20)10-8-14/h3-10,12H,11H2,1-2H3,(H,21,25)
InChIKeyZANGGVCNDBWPHY-UHFFFAOYSA-N
XLogP3.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]ethyl]benzamide
CID 16977590
N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16973977
N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972351
4-chloro-N-[[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029540
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide
CID 3820061
propan-2-yl 2-[2-[[(4-chlorobenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17009130
4-chloro-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009109
4-chloro-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]benzamide
CID 16984574
N-[[1-[2-(butan-2-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17029539
2-(4-chlorophenoxy)-N-[3-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]propyl]acetamide
CID 16986533
4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17009016
4-chloro-N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 5061788

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]benzamide (CID 17009138) is 4-chloro-N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]benzamide is CC(=O)C(C)n1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 4-chloro-N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]benzamide?
The InChIKey is ZANGGVCNDBWPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12(13(2)24)23-17-6-4-3-5-16(17)22-18(23)11-21-19(25)14-7-9-15(20)10-8-14/h3-10,12H,11H2,1-2H3,(H,21,25).
What are the key properties of 4-chloro-N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]benzamide?
4-chloro-N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]benzamide has a molecular weight of 355.83 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17009138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).