3-(5-bromo-2-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide

C21H18BrN3O — CID 66960965

IUPAC3-(5-bromo-2-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide
SMILESO=C(C=Cc1cc(Br)ccc1-n1ccnc1)NC1CCc2ccccc21
InChIInChI=1S/C21H18BrN3O/c22-17-7-9-20(25-12-11-23-14-25)16(13-17)6-10-21(26)24-19-8-5-15-3-1-2-4-18(15)19/h1-4,6-7,9-14,19H,5,8H2,(H,24,26)
InChIKeyLMKTWCTXBWUVCC-UHFFFAOYSA-N
MW408.30 g/mol
LogP4.45
Rot. Bonds4

About 3-(5-bromo-2-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide

3-(5-bromo-2-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide (PubChem CID 66960965) has the molecular formula C21H18BrN3O and a molecular weight of 408.30 g/mol. Its IUPAC name is 3-(5-bromo-2-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(5-bromo-2-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide
PubChem CID66960965
Molecular FormulaC21H18BrN3O
Molecular Weight408.30 g/mol
Exact Mass407.06
IUPAC Name3-(5-bromo-2-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide
SMILESO=C(C=Cc1cc(Br)ccc1-n1ccnc1)NC1CCc2ccccc21
InChIInChI=1S/C21H18BrN3O/c22-17-7-9-20(25-12-11-23-14-25)16(13-17)6-10-21(26)24-19-8-5-15-3-1-2-4-18(15)19/h1-4,6-7,9-14,19H,5,8H2,(H,24,26)
InChIKeyLMKTWCTXBWUVCC-UHFFFAOYSA-N
XLogP4.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(5-bromo-2-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-cyano-4-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide
CID 66960991
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-imidazol-1-yl-2-methoxyphenyl)prop-2-enamide
CID 59170828
(E)-3-(3-bromophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 7919830
(E)-3-(3-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 42904423
(E)-3-(2-imidazol-1-ylphenyl)prop-2-enoic acid
CID 29019169
4-imidazol-1-yl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 5000431
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enamide
CID 58223153
1-[(2-imidazol-1-ylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 60580591
(E)-3-(5-chloro-1H-indazol-6-yl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide
CID 168865094
2,5-dibromo-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 114370976
(E)-3-(2-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 7919796
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[4-[4-(fluoromethyl)imidazol-1-yl]-3-methoxyphenyl]prop-2-enamide
CID 59170993

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide?
The IUPAC name of 3-(5-bromo-2-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide (CID 66960965) is 3-(5-bromo-2-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide.
What is the SMILES notation for 3-(5-bromo-2-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide?
The canonical SMILES for 3-(5-bromo-2-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide is O=C(C=Cc1cc(Br)ccc1-n1ccnc1)NC1CCc2ccccc21.
What is the InChIKey of 3-(5-bromo-2-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide?
The InChIKey is LMKTWCTXBWUVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O/c22-17-7-9-20(25-12-11-23-14-25)16(13-17)6-10-21(26)24-19-8-5-15-3-1-2-4-18(15)19/h1-4,6-7,9-14,19H,5,8H2,(H,24,26).
What are the key properties of 3-(5-bromo-2-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide?
3-(5-bromo-2-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide has a molecular weight of 408.30 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide is sourced from PubChem (CID 66960965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).