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

C19H18BrN3O — CID 17009306

IUPAC4-bromo-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
SMILESC=CCn1c(C(C)NC(=O)c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C19H18BrN3O/c1-3-12-23-17-7-5-4-6-16(17)22-18(23)13(2)21-19(24)14-8-10-15(20)11-9-14/h3-11,13H,1,12H2,2H3,(H,21,24)
InChIKeyAEPPEJZCAQVYOP-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.48
Rot. Bonds5

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

4-bromo-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide (PubChem CID 17009306) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is 4-bromo-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
PubChem CID17009306
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC Name4-bromo-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
SMILESC=CCn1c(C(C)NC(=O)c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C19H18BrN3O/c1-3-12-23-17-7-5-4-6-16(17)22-18(23)13(2)21-19(24)14-8-10-15(20)11-9-14/h3-11,13H,1,12H2,2H3,(H,21,24)
InChIKeyAEPPEJZCAQVYOP-UHFFFAOYSA-N
XLogP4.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.48
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-fluoro-N-[(1S)-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 751224
4-bromo-N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009305
N-[1-(1-benzylbenzimidazol-2-yl)ethyl]-4-bromobenzamide
CID 17009321
4-bromo-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide
CID 17009314
3-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 17010091
4-bromo-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009330
4-bromo-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009430
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-bromobenzamide
CID 17009443
N-[1-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16969973
2-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 4201077
4-bromo-N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009403
4-bromo-N-[1-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009411

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-bromo-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide (CID 17009306) is 4-bromo-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide is C=CCn1c(C(C)NC(=O)c2ccc(Br)cc2)nc2ccccc21.
What is the InChIKey of 4-bromo-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide?
The InChIKey is AEPPEJZCAQVYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O/c1-3-12-23-17-7-5-4-6-16(17)22-18(23)13(2)21-19(24)14-8-10-15(20)11-9-14/h3-11,13H,1,12H2,2H3,(H,21,24).
What are the key properties of 4-bromo-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide?
4-bromo-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide has a molecular weight of 384.28 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 17009306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).