5-[(2-hydroxyethylamino)methyl]-1-methyl-N-(2-methyl-3-phenylphenyl)imidazole-2-carboxamide

C21H24N4O2 — CID 134282238

IUPAC5-[(2-hydroxyethylamino)methyl]-1-methyl-N-(2-methyl-3-phenylphenyl)imidazole-2-carboxamide
SMILESCc1c(NC(=O)c2ncc(CNCCO)n2C)cccc1-c1ccccc1
InChIInChI=1S/C21H24N4O2/c1-15-18(16-7-4-3-5-8-16)9-6-10-19(15)24-21(27)20-23-14-17(25(20)2)13-22-11-12-26/h3-10,14,22,26H,11-13H2,1-2H3,(H,24,27)
InChIKeyNMRCIXCIRVZQNY-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.73
Rot. Bonds7

About 5-[(2-hydroxyethylamino)methyl]-1-methyl-N-(2-methyl-3-phenylphenyl)imidazole-2-carboxamide

5-[(2-hydroxyethylamino)methyl]-1-methyl-N-(2-methyl-3-phenylphenyl)imidazole-2-carboxamide (PubChem CID 134282238) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-[(2-hydroxyethylamino)methyl]-1-methyl-N-(2-methyl-3-phenylphenyl)imidazole-2-carboxamide.

Molecular Properties

Compound Name5-[(2-hydroxyethylamino)methyl]-1-methyl-N-(2-methyl-3-phenylphenyl)imidazole-2-carboxamide
PubChem CID134282238
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name5-[(2-hydroxyethylamino)methyl]-1-methyl-N-(2-methyl-3-phenylphenyl)imidazole-2-carboxamide
SMILESCc1c(NC(=O)c2ncc(CNCCO)n2C)cccc1-c1ccccc1
InChIInChI=1S/C21H24N4O2/c1-15-18(16-7-4-3-5-8-16)9-6-10-19(15)24-21(27)20-23-14-17(25(20)2)13-22-11-12-26/h3-10,14,22,26H,11-13H2,1-2H3,(H,24,27)
InChIKeyNMRCIXCIRVZQNY-UHFFFAOYSA-N
XLogP2.73
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[[(5-Cyano-1H-imidazol-2-yl)carbonyl]amino]-3-(1-cyclohexen-1-yl)phenyl]-N-(2-hydroxyethyl)-1-piperidinecarboxamide
CID 11576269
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(2-hydroxyethylamino)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11592380
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-[2-hydroxyethyl(methyl)amino]acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11664409
N-[(2R)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide;dihydrochloride
CID 54577447
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1H-imidazole-2-carboxamide
CID 58994369
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]-1H-imidazole-2-carboxamide
CID 58994593
5-Butyl-methyl immidazole carboxylate 30
CID 73755250
N-[5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 9813756
4-{5-[4-(2,3-Dimethyl-phenyl)-2,3-dioxo-piperazin-1-ylmethyl]-imidazol-1-ylmethyl}-benzonitrile
CID 9823033
1-[1-(1H-Imidazol-4-ylmethyl)-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-3-m-tolyl-urea
CID 9934162
1-[1-(1H-Imidazol-2-ylmethyl)-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-3-m-tolyl-urea
CID 10027443
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11497455

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxyethylamino)methyl]-1-methyl-N-(2-methyl-3-phenylphenyl)imidazole-2-carboxamide?
The IUPAC name of 5-[(2-hydroxyethylamino)methyl]-1-methyl-N-(2-methyl-3-phenylphenyl)imidazole-2-carboxamide (CID 134282238) is 5-[(2-hydroxyethylamino)methyl]-1-methyl-N-(2-methyl-3-phenylphenyl)imidazole-2-carboxamide.
What is the SMILES notation for 5-[(2-hydroxyethylamino)methyl]-1-methyl-N-(2-methyl-3-phenylphenyl)imidazole-2-carboxamide?
The canonical SMILES for 5-[(2-hydroxyethylamino)methyl]-1-methyl-N-(2-methyl-3-phenylphenyl)imidazole-2-carboxamide is Cc1c(NC(=O)c2ncc(CNCCO)n2C)cccc1-c1ccccc1.
What is the InChIKey of 5-[(2-hydroxyethylamino)methyl]-1-methyl-N-(2-methyl-3-phenylphenyl)imidazole-2-carboxamide?
The InChIKey is NMRCIXCIRVZQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-18(16-7-4-3-5-8-16)9-6-10-19(15)24-21(27)20-23-14-17(25(20)2)13-22-11-12-26/h3-10,14,22,26H,11-13H2,1-2H3,(H,24,27).
What are the key properties of 5-[(2-hydroxyethylamino)methyl]-1-methyl-N-(2-methyl-3-phenylphenyl)imidazole-2-carboxamide?
5-[(2-hydroxyethylamino)methyl]-1-methyl-N-(2-methyl-3-phenylphenyl)imidazole-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxyethylamino)methyl]-1-methyl-N-(2-methyl-3-phenylphenyl)imidazole-2-carboxamide is sourced from PubChem (CID 134282238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).