3-cyano-N-[3-hydroxy-4-[4-[2-(3-oxopropyl)-1H-imidazol-5-yl]phenyl]butyl]-4-propan-2-yloxybenzamide

C27H30N4O4 — CID 87735385

IUPAC3-cyano-N-[3-hydroxy-4-[4-[2-(3-oxopropyl)-1H-imidazol-5-yl]phenyl]butyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCCC(O)Cc2ccc(-c3cnc(CCC=O)[nH]3)cc2)cc1C#N
InChIInChI=1S/C27H30N4O4/c1-18(2)35-25-10-9-21(15-22(25)16-28)27(34)29-12-11-23(33)14-19-5-7-20(8-6-19)24-17-30-26(31-24)4-3-13-32/h5-10,13,15,17-18,23,33H,3-4,11-12,14H2,1-2H3,(H,29,34)(H,30,31)
InChIKeyAXCPGVUDHNWIEK-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.59
Rot. Bonds12

About 3-cyano-N-[3-hydroxy-4-[4-[2-(3-oxopropyl)-1H-imidazol-5-yl]phenyl]butyl]-4-propan-2-yloxybenzamide

3-cyano-N-[3-hydroxy-4-[4-[2-(3-oxopropyl)-1H-imidazol-5-yl]phenyl]butyl]-4-propan-2-yloxybenzamide (PubChem CID 87735385) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 3-cyano-N-[3-hydroxy-4-[4-[2-(3-oxopropyl)-1H-imidazol-5-yl]phenyl]butyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-cyano-N-[3-hydroxy-4-[4-[2-(3-oxopropyl)-1H-imidazol-5-yl]phenyl]butyl]-4-propan-2-yloxybenzamide
PubChem CID87735385
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name3-cyano-N-[3-hydroxy-4-[4-[2-(3-oxopropyl)-1H-imidazol-5-yl]phenyl]butyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCCC(O)Cc2ccc(-c3cnc(CCC=O)[nH]3)cc2)cc1C#N
InChIInChI=1S/C27H30N4O4/c1-18(2)35-25-10-9-21(15-22(25)16-28)27(34)29-12-11-23(33)14-19-5-7-20(8-6-19)24-17-30-26(31-24)4-3-13-32/h5-10,13,15,17-18,23,33H,3-4,11-12,14H2,1-2H3,(H,29,34)(H,30,31)
InChIKeyAXCPGVUDHNWIEK-UHFFFAOYSA-N
XLogP3.59
TPSA128.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-cyano-N-[3-hydroxy-4-[4-[2-(3-oxopropyl)-1H-imidazol-5-yl]phenyl]butyl]-4-propan-2-yloxybenzamide 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

5-(3-cyano-4-propan-2-yloxyphenyl)-1H-imidazole-2-carboxylic acid
CID 162676077
[3-acetamido-4-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]butyl] 3-cyano-4-propan-2-yloxybenzoate
CID 69490849
N-[1-[4-(4-tert-butyl-5-methyl-1H-imidazol-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
CID 68651501
N-[1-[4-(2-acetyl-5-methyl-1H-imidazol-4-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
CID 69211519
2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
CID 68887507
N-[1-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-3-hydroxypropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
CID 11518427
N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxypentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
CID 11627719
N-[1-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
CID 68652058
N-[1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
CID 68652284
3-cyano-N-[4-hydroxy-1-[4-(1-methyl-2-prop-1-en-2-ylimidazol-4-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
CID 68651912
N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
CID 68652012
N-[1-[4-(5-butyl-1-methyl-1,2,4-triazol-3-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
CID 68651809

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-hydroxy-4-[4-[2-(3-oxopropyl)-1H-imidazol-5-yl]phenyl]butyl]-4-propan-2-yloxybenzamide?
The IUPAC name of 3-cyano-N-[3-hydroxy-4-[4-[2-(3-oxopropyl)-1H-imidazol-5-yl]phenyl]butyl]-4-propan-2-yloxybenzamide (CID 87735385) is 3-cyano-N-[3-hydroxy-4-[4-[2-(3-oxopropyl)-1H-imidazol-5-yl]phenyl]butyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-cyano-N-[3-hydroxy-4-[4-[2-(3-oxopropyl)-1H-imidazol-5-yl]phenyl]butyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-cyano-N-[3-hydroxy-4-[4-[2-(3-oxopropyl)-1H-imidazol-5-yl]phenyl]butyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCCC(O)Cc2ccc(-c3cnc(CCC=O)[nH]3)cc2)cc1C#N.
What is the InChIKey of 3-cyano-N-[3-hydroxy-4-[4-[2-(3-oxopropyl)-1H-imidazol-5-yl]phenyl]butyl]-4-propan-2-yloxybenzamide?
The InChIKey is AXCPGVUDHNWIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-18(2)35-25-10-9-21(15-22(25)16-28)27(34)29-12-11-23(33)14-19-5-7-20(8-6-19)24-17-30-26(31-24)4-3-13-32/h5-10,13,15,17-18,23,33H,3-4,11-12,14H2,1-2H3,(H,29,34)(H,30,31).
What are the key properties of 3-cyano-N-[3-hydroxy-4-[4-[2-(3-oxopropyl)-1H-imidazol-5-yl]phenyl]butyl]-4-propan-2-yloxybenzamide?
3-cyano-N-[3-hydroxy-4-[4-[2-(3-oxopropyl)-1H-imidazol-5-yl]phenyl]butyl]-4-propan-2-yloxybenzamide has a molecular weight of 474.56 g/mol, XLogP of 3.59, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-hydroxy-4-[4-[2-(3-oxopropyl)-1H-imidazol-5-yl]phenyl]butyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 87735385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).