N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide

C19H19ClN4O2 — CID 17028922

IUPACN-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc2ccccc2n1CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H19ClN4O2/c1-2-18(25)21-11-17-23-15-8-3-4-9-16(15)24(17)12-19(26)22-14-7-5-6-13(20)10-14/h3-10H,2,11-12H2,1H3,(H,21,25)(H,22,26)
InChIKeyFTOCZUYRHAHONJ-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.35
Rot. Bonds6

About N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide

N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide (PubChem CID 17028922) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
PubChem CID17028922
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC NameN-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc2ccccc2n1CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H19ClN4O2/c1-2-18(25)21-11-17-23-15-8-3-4-9-16(15)24(17)12-19(26)22-14-7-5-6-13(20)10-14/h3-10H,2,11-12H2,1H3,(H,21,25)(H,22,26)
InChIKeyFTOCZUYRHAHONJ-UHFFFAOYSA-N
XLogP3.35
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029556
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029360
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029167
N-(3-chlorophenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
CID 112787812
N-(3-chlorophenyl)-2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide
CID 17031158
4-chloro-N-[2-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030913
N-[2-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17030281
N-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028988
N-(3-chlorophenyl)-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031971
N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 1293138
N-[2-[4-[2-(3-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide
CID 20894967
2-chloro-N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031501

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide?
The IUPAC name of N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide (CID 17028922) is N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide?
The canonical SMILES for N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide is CCC(=O)NCc1nc2ccccc2n1CC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide?
The InChIKey is FTOCZUYRHAHONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-2-18(25)21-11-17-23-15-8-3-4-9-16(15)24(17)12-19(26)22-14-7-5-6-13(20)10-14/h3-10H,2,11-12H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide?
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide has a molecular weight of 370.84 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide is sourced from PubChem (CID 17028922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).