N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide

C18H23FN4O2 — CID 51931352

IUPACN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
SMILESC[C@@H]1CN(CCNC(=O)c2cncn2-c2ccc(F)cc2)C[C@H](C)O1
InChIInChI=1S/C18H23FN4O2/c1-13-10-22(11-14(2)25-13)8-7-21-18(24)17-9-20-12-23(17)16-5-3-15(19)4-6-16/h3-6,9,12-14H,7-8,10-11H2,1-2H3,(H,21,24)/t13-,14+
InChIKeyDDADAWMNCDAWGT-OKILXGFUSA-N
MW346.41 g/mol
LogP1.85
Rot. Bonds5

About N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide

N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide (PubChem CID 51931352) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
PubChem CID51931352
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC NameN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
SMILESC[C@@H]1CN(CCNC(=O)c2cncn2-c2ccc(F)cc2)C[C@H](C)O1
InChIInChI=1S/C18H23FN4O2/c1-13-10-22(11-14(2)25-13)8-7-21-18(24)17-9-20-12-23(17)16-5-3-15(19)4-6-16/h3-6,9,12-14H,7-8,10-11H2,1-2H3,(H,21,24)/t13-,14+
InChIKeyDDADAWMNCDAWGT-OKILXGFUSA-N
XLogP1.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-anilino-9-[4-(3-hydroxy-1-piperidyl)butyl]-1H-purin-6-one
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2-anilino-9-[4-(3-methoxy-1-piperidyl)butyl]-1H-purin-6-one
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N-(2-methyl-6-oxo-9-phenylpurin-1-yl)-2-morpholin-4-ylacetamide
CID 2816783
N-(2-fluoro-5-methylphenyl)-3-phenylimidazole-4-carboxamide
CID 8002584
2-anilino-9-(2-methoxyethyl)-1H-purin-6-one
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CID 137452626
1-N-(3-methyloxetan-3-yl)-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
CID 137452692
1-N-[(2R)-butan-2-yl]-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
CID 137452700
Hbv-IN-17
CID 137452724
CID 137452752
CID 137452752
CID 137452756
CID 137452756

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
The IUPAC name of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide (CID 51931352) is N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
The canonical SMILES for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide is C[C@@H]1CN(CCNC(=O)c2cncn2-c2ccc(F)cc2)C[C@H](C)O1.
What is the InChIKey of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
The InChIKey is DDADAWMNCDAWGT-OKILXGFUSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-13-10-22(11-14(2)25-13)8-7-21-18(24)17-9-20-12-23(17)16-5-3-15(19)4-6-16/h3-6,9,12-14H,7-8,10-11H2,1-2H3,(H,21,24)/t13-,14+.
What are the key properties of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 51931352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).