4-chloro-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide

C19H18ClN3O — CID 751332

IUPAC4-chloro-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
SMILESC=CCn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C19H18ClN3O/c1-2-13-23-17-6-4-3-5-16(17)22-18(23)11-12-21-19(24)14-7-9-15(20)10-8-14/h2-10H,1,11-13H2,(H,21,24)
InChIKeyKSVBURUUNGFSIM-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.85
Rot. Bonds6

About 4-chloro-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide

4-chloro-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide (PubChem CID 751332) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 4-chloro-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
PubChem CID751332
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name4-chloro-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
SMILESC=CCn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C19H18ClN3O/c1-2-13-23-17-6-4-3-5-16(17)22-18(23)11-12-21-19(24)14-7-9-15(20)10-8-14/h2-10H,1,11-13H2,(H,21,24)
InChIKeyKSVBURUUNGFSIM-UHFFFAOYSA-N
XLogP3.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 5066130
4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754980
N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]-4-chlorobenzamide
CID 17030906
2-methyl-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]propanamide
CID 955336
propan-2-yl 2-[2-[2-[(4-chlorobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16977270
4-fluoro-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide
CID 2975742
2-(2-methylphenyl)-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]acetamide
CID 16979071
4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984560
4-chloro-N-[2-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030913
N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide
CID 16977216
4-chloro-N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 4630378
4-bromo-N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977496

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide (CID 751332) is 4-chloro-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide is C=CCn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 4-chloro-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide?
The InChIKey is KSVBURUUNGFSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-2-13-23-17-6-4-3-5-16(17)22-18(23)11-12-21-19(24)14-7-9-15(20)10-8-14/h2-10H,1,11-13H2,(H,21,24).
What are the key properties of 4-chloro-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide?
4-chloro-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide has a molecular weight of 339.83 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 751332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).