2-[[4-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]benzoyl]amino]-N-(5-prop-1-ynyl-2-pyridinyl)benzamide

C27H25N5O3 — CID 59020958

IUPAC2-[[4-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]benzoyl]amino]-N-(5-prop-1-ynyl-2-pyridinyl)benzamide
SMILESCC#Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(C3=NCCN3CCO)cc2)nc1
InChIInChI=1S/C27H25N5O3/c1-2-5-19-8-13-24(29-18-19)31-27(35)22-6-3-4-7-23(22)30-26(34)21-11-9-20(10-12-21)25-28-14-15-32(25)16-17-33/h3-4,6-13,18,33H,14-17H2,1H3,(H,30,34)(H,29,31,35)
InChIKeyXGPKIHQSQFIEMG-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.01
Rot. Bonds7

About 2-[[4-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]benzoyl]amino]-N-(5-prop-1-ynyl-2-pyridinyl)benzamide

2-[[4-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]benzoyl]amino]-N-(5-prop-1-ynyl-2-pyridinyl)benzamide (PubChem CID 59020958) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is 2-[[4-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]benzoyl]amino]-N-(5-prop-1-ynyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-[[4-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]benzoyl]amino]-N-(5-prop-1-ynyl-2-pyridinyl)benzamide
PubChem CID59020958
Molecular FormulaC27H25N5O3
Molecular Weight467.53 g/mol
Exact Mass467.20
IUPAC Name2-[[4-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]benzoyl]amino]-N-(5-prop-1-ynyl-2-pyridinyl)benzamide
SMILESCC#Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(C3=NCCN3CCO)cc2)nc1
InChIInChI=1S/C27H25N5O3/c1-2-5-19-8-13-24(29-18-19)31-27(35)22-6-3-4-7-23(22)30-26(34)21-11-9-20(10-12-21)25-28-14-15-32(25)16-17-33/h3-4,6-13,18,33H,14-17H2,1H3,(H,30,34)(H,29,31,35)
InChIKeyXGPKIHQSQFIEMG-UHFFFAOYSA-N
XLogP3.01
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[4-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]benzoyl]amino]-N-(5-prop-1-ynyl-2-pyridinyl)benzamide 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

N-(5-ethynyl-2-pyridinyl)-2-[[4-(1-propyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 59020823
N-(5-fluoro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 20747498
CID 88883182
CID 88883182
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 10162145
N-(4-chloro-2-fluorophenyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 18727930
5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 70670957
5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 11192742
N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)ethylsulfanyl]-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 11376092
3,5-dichloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 10207342
N-(5-bromo-2-pyridinyl)-2-[2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]phenyl]acetamide
CID 160678192
5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
CID 148805295
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 35344467

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]benzoyl]amino]-N-(5-prop-1-ynyl-2-pyridinyl)benzamide?
The IUPAC name of 2-[[4-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]benzoyl]amino]-N-(5-prop-1-ynyl-2-pyridinyl)benzamide (CID 59020958) is 2-[[4-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]benzoyl]amino]-N-(5-prop-1-ynyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-[[4-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]benzoyl]amino]-N-(5-prop-1-ynyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-[[4-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]benzoyl]amino]-N-(5-prop-1-ynyl-2-pyridinyl)benzamide is CC#Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(C3=NCCN3CCO)cc2)nc1.
What is the InChIKey of 2-[[4-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]benzoyl]amino]-N-(5-prop-1-ynyl-2-pyridinyl)benzamide?
The InChIKey is XGPKIHQSQFIEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c1-2-5-19-8-13-24(29-18-19)31-27(35)22-6-3-4-7-23(22)30-26(34)21-11-9-20(10-12-21)25-28-14-15-32(25)16-17-33/h3-4,6-13,18,33H,14-17H2,1H3,(H,30,34)(H,29,31,35).
What are the key properties of 2-[[4-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]benzoyl]amino]-N-(5-prop-1-ynyl-2-pyridinyl)benzamide?
2-[[4-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]benzoyl]amino]-N-(5-prop-1-ynyl-2-pyridinyl)benzamide has a molecular weight of 467.53 g/mol, XLogP of 3.01, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]benzoyl]amino]-N-(5-prop-1-ynyl-2-pyridinyl)benzamide is sourced from PubChem (CID 59020958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).