4-(4-fluorophenyl)-2-methyl-1H-imidazole-5-carboxamide

C11H10FN3O — CID 58752243

IUPAC4-(4-fluorophenyl)-2-methyl-1H-imidazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(C(N)=O)[nH]1
InChIInChI=1S/C11H10FN3O/c1-6-14-9(10(15-6)11(13)16)7-2-4-8(12)5-3-7/h2-5H,1H3,(H2,13,16)(H,14,15)
InChIKeyHRHQEQNXGOIWSA-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.62
Rot. Bonds2

About 4-(4-fluorophenyl)-2-methyl-1H-imidazole-5-carboxamide

4-(4-fluorophenyl)-2-methyl-1H-imidazole-5-carboxamide (PubChem CID 58752243) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-1H-imidazole-5-carboxamide
PubChem CID58752243
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name4-(4-fluorophenyl)-2-methyl-1H-imidazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(C(N)=O)[nH]1
InChIInChI=1S/C11H10FN3O/c1-6-14-9(10(15-6)11(13)16)7-2-4-8(12)5-3-7/h2-5H,1H3,(H2,13,16)(H,14,15)
InChIKeyHRHQEQNXGOIWSA-UHFFFAOYSA-N
XLogP1.62
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethan-1-one
CID 328820
(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
2-methyl-1H-benzo[d]imidazole-4-carboxamide
CID 10241296
4-acetamido-2-phenyl-1H-imidazole-5-carboxamide
CID 44522520
(4-fluorophenyl)-(2-phenyl-1H-imidazol-5-yl)methanone
CID 49787758
(4-fluorophenyl)-[2-(4-methylphenyl)-1H-imidazol-5-yl]methanone
CID 49787838
(4-fluorophenyl)(2-(p-tolyl)-1H-imidazol-5-yl)methanone hydrochloride
CID 49788059
6H-Purin-6-one, 2-amino-1,7-dihydro-8-(phenylmethyl)-
CID 135554423
4-(3-phenylphenyl)-1H-imidazole-5-carboxamide
CID 16658116
1H-Imidazole-5-carboxamide, 4-phenyl-
CID 16658822
2-phenyl-1,5,6,7-tetrahydro-4H-benzimidazol-4-one
CID 4064157

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methyl-1H-imidazole-5-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-1H-imidazole-5-carboxamide (CID 58752243) is 4-(4-fluorophenyl)-2-methyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-1H-imidazole-5-carboxamide is Cc1nc(-c2ccc(F)cc2)c(C(N)=O)[nH]1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-1H-imidazole-5-carboxamide?
The InChIKey is HRHQEQNXGOIWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-6-14-9(10(15-6)11(13)16)7-2-4-8(12)5-3-7/h2-5H,1H3,(H2,13,16)(H,14,15).
What are the key properties of 4-(4-fluorophenyl)-2-methyl-1H-imidazole-5-carboxamide?
4-(4-fluorophenyl)-2-methyl-1H-imidazole-5-carboxamide has a molecular weight of 219.22 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 58752243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).