2-(4-fluorophenyl)-5-[(1S)-1-[(1-methylazetidine-3-carbonyl)amino]-7-oxononyl]-1H-imidazole-4-carboxamide

C24H32FN5O3 — CID 162663519

IUPAC2-(4-fluorophenyl)-5-[(1S)-1-[(1-methylazetidine-3-carbonyl)amino]-7-oxononyl]-1H-imidazole-4-carboxamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1[nH]c(-c2ccc(F)cc2)nc1C(N)=O
InChIInChI=1S/C24H32FN5O3/c1-3-18(31)7-5-4-6-8-19(27-24(33)16-13-30(2)14-16)20-21(22(26)32)29-23(28-20)15-9-11-17(25)12-10-15/h9-12,16,19H,3-8,13-14H2,1-2H3,(H2,26,32)(H,27,33)(H,28,29)/t19-/m0/s1
InChIKeyQXMVYSCRIRLZNR-IBGZPJMESA-N
MW457.55 g/mol
LogP2.96
Rot. Bonds12

About 2-(4-fluorophenyl)-5-[(1S)-1-[(1-methylazetidine-3-carbonyl)amino]-7-oxononyl]-1H-imidazole-4-carboxamide

2-(4-fluorophenyl)-5-[(1S)-1-[(1-methylazetidine-3-carbonyl)amino]-7-oxononyl]-1H-imidazole-4-carboxamide (PubChem CID 162663519) has the molecular formula C24H32FN5O3 and a molecular weight of 457.55 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[(1S)-1-[(1-methylazetidine-3-carbonyl)amino]-7-oxononyl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[(1S)-1-[(1-methylazetidine-3-carbonyl)amino]-7-oxononyl]-1H-imidazole-4-carboxamide
PubChem CID162663519
Molecular FormulaC24H32FN5O3
Molecular Weight457.55 g/mol
Exact Mass457.25
IUPAC Name2-(4-fluorophenyl)-5-[(1S)-1-[(1-methylazetidine-3-carbonyl)amino]-7-oxononyl]-1H-imidazole-4-carboxamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1[nH]c(-c2ccc(F)cc2)nc1C(N)=O
InChIInChI=1S/C24H32FN5O3/c1-3-18(31)7-5-4-6-8-19(27-24(33)16-13-30(2)14-16)20-21(22(26)32)29-23(28-20)15-9-11-17(25)12-10-15/h9-12,16,19H,3-8,13-14H2,1-2H3,(H2,26,32)(H,27,33)(H,28,29)/t19-/m0/s1
InChIKeyQXMVYSCRIRLZNR-IBGZPJMESA-N
XLogP2.96
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 52.96
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

(2S)-N-[(1S)-1-[4-carbamoyl-2-(4-fluorophenyl)-1H-imidazol-5-yl]-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
CID 162650292
(2S)-N-[(1S)-1-[4-carbamoyl-2-(4-fluorophenyl)-1H-imidazol-5-yl]-7-oxononyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide
CID 162665723
1-methyl-N-((S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)pyrrolidine-3-carboxamide
CID 44590159
(2S)-N-[(1S)-1-[4-cyano-2-(4-fluorophenyl)-1H-imidazol-5-yl]-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
CID 162506561
(2S)-6-ethyl-N-[(1S)-7-oxo-1-(6-oxo-3,7,18-triazatricyclo[11.3.1.12,5]octadeca-1(16),2(18),4,13(17),14-pentaen-4-yl)nonyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 164611845
(2S)-6-ethyl-N-[(1S)-7-oxo-1-[(11Z)-6-oxo-3,7,18-triazatricyclo[11.3.1.12,5]octadeca-1(16),2(18),4,11,13(17),14-hexaen-4-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 164615646
(2S)-6-ethyl-N-[(1S)-7-oxo-1-[(11E)-6-oxo-3,7,18-triazatricyclo[11.3.1.12,5]octadeca-1(16),2(18),4,11,13(17),14-hexaen-4-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 164627049
2-[(S)-1-(2-Amino-acetyl)-2,3-dihydro-1H-indol-2-yl]-5-propyl-1H-imidazole-4-carboxylic acid amide
CID 44359064
(S)-N-(1-(5-(4-fluorophenyl)-1H-imidazol-2-yl)-7-oxooctyl)-1-methylpiperidine-4-carboxamide
CID 44589632
N-(1-benzylpiperidin-4-yl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
CID 51361085
(4-phenylpiperazin-1-yl)-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone
CID 51361140
N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2R)-2-ethylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide
CID 155539299

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[(1S)-1-[(1-methylazetidine-3-carbonyl)amino]-7-oxononyl]-1H-imidazole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-5-[(1S)-1-[(1-methylazetidine-3-carbonyl)amino]-7-oxononyl]-1H-imidazole-4-carboxamide (CID 162663519) is 2-(4-fluorophenyl)-5-[(1S)-1-[(1-methylazetidine-3-carbonyl)amino]-7-oxononyl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[(1S)-1-[(1-methylazetidine-3-carbonyl)amino]-7-oxononyl]-1H-imidazole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-[(1S)-1-[(1-methylazetidine-3-carbonyl)amino]-7-oxononyl]-1H-imidazole-4-carboxamide is CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1[nH]c(-c2ccc(F)cc2)nc1C(N)=O.
What is the InChIKey of 2-(4-fluorophenyl)-5-[(1S)-1-[(1-methylazetidine-3-carbonyl)amino]-7-oxononyl]-1H-imidazole-4-carboxamide?
The InChIKey is QXMVYSCRIRLZNR-IBGZPJMESA-N. The full InChI is InChI=1S/C24H32FN5O3/c1-3-18(31)7-5-4-6-8-19(27-24(33)16-13-30(2)14-16)20-21(22(26)32)29-23(28-20)15-9-11-17(25)12-10-15/h9-12,16,19H,3-8,13-14H2,1-2H3,(H2,26,32)(H,27,33)(H,28,29)/t19-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-5-[(1S)-1-[(1-methylazetidine-3-carbonyl)amino]-7-oxononyl]-1H-imidazole-4-carboxamide?
2-(4-fluorophenyl)-5-[(1S)-1-[(1-methylazetidine-3-carbonyl)amino]-7-oxononyl]-1H-imidazole-4-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 2.96, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[(1S)-1-[(1-methylazetidine-3-carbonyl)amino]-7-oxononyl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 162663519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).