4-bromo-N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide

C19H17Br2N3O — CID 17009305

IUPAC4-bromo-N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
SMILESC=C(Br)Cn1c(C(C)NC(=O)c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C19H17Br2N3O/c1-12(20)11-24-17-6-4-3-5-16(17)23-18(24)13(2)22-19(25)14-7-9-15(21)10-8-14/h3-10,13H,1,11H2,2H3,(H,22,25)
InChIKeyKYJXACMTVUGZJI-UHFFFAOYSA-N
MW463.17 g/mol
LogP5.20
Rot. Bonds5

About 4-bromo-N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide

4-bromo-N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17009305) has the molecular formula C19H17Br2N3O and a molecular weight of 463.17 g/mol. Its IUPAC name is 4-bromo-N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
PubChem CID17009305
Molecular FormulaC19H17Br2N3O
Molecular Weight463.17 g/mol
Exact Mass460.97
IUPAC Name4-bromo-N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
SMILESC=C(Br)Cn1c(C(C)NC(=O)c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C19H17Br2N3O/c1-12(20)11-24-17-6-4-3-5-16(17)23-18(24)13(2)22-19(25)14-7-9-15(21)10-8-14/h3-10,13H,1,11H2,2H3,(H,22,25)
InChIKeyKYJXACMTVUGZJI-UHFFFAOYSA-N
XLogP5.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.17
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 17009306
N-[1-(1-benzylbenzimidazol-2-yl)ethyl]-4-bromobenzamide
CID 17009321
N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-3,4-dimethoxybenzamide
CID 17009932
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-bromobenzamide
CID 17009443
4-bromo-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009330
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
CID 4753696
4-bromo-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide
CID 17009314
4-bromo-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009430
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029637
methyl 2-[2-[1-[(4-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 17009764
N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16971556
4-bromo-N-[1-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]ethyl]benzamide
CID 17009461

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-bromo-N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide (CID 17009305) is 4-bromo-N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide is C=C(Br)Cn1c(C(C)NC(=O)c2ccc(Br)cc2)nc2ccccc21.
What is the InChIKey of 4-bromo-N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is KYJXACMTVUGZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Br2N3O/c1-12(20)11-24-17-6-4-3-5-16(17)23-18(24)13(2)22-19(25)14-7-9-15(21)10-8-14/h3-10,13H,1,11H2,2H3,(H,22,25).
What are the key properties of 4-bromo-N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide?
4-bromo-N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 463.17 g/mol, XLogP of 5.20, 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-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17009305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).