N-(5-fluoro-2-methylphenyl)-2-propan-2-yl-1H-imidazole-5-carboxamide

C14H16FN3O — CID 86768472

IUPACN-(5-fluoro-2-methylphenyl)-2-propan-2-yl-1H-imidazole-5-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cnc(C(C)C)[nH]1
InChIInChI=1S/C14H16FN3O/c1-8(2)13-16-7-12(17-13)14(19)18-11-6-10(15)5-4-9(11)3/h4-8H,1-3H3,(H,16,17)(H,18,19)
InChIKeyZXHXHPGUCUBHCX-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.23
Rot. Bonds3

About N-(5-fluoro-2-methylphenyl)-2-propan-2-yl-1H-imidazole-5-carboxamide

N-(5-fluoro-2-methylphenyl)-2-propan-2-yl-1H-imidazole-5-carboxamide (PubChem CID 86768472) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-propan-2-yl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-propan-2-yl-1H-imidazole-5-carboxamide
PubChem CID86768472
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-propan-2-yl-1H-imidazole-5-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cnc(C(C)C)[nH]1
InChIInChI=1S/C14H16FN3O/c1-8(2)13-16-7-12(17-13)14(19)18-11-6-10(15)5-4-9(11)3/h4-8H,1-3H3,(H,16,17)(H,18,19)
InChIKeyZXHXHPGUCUBHCX-UHFFFAOYSA-N
XLogP3.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-propan-2-yl-1H-imidazole-5-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-propan-2-yl-1H-imidazole-5-carboxamide (CID 86768472) is N-(5-fluoro-2-methylphenyl)-2-propan-2-yl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-propan-2-yl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-propan-2-yl-1H-imidazole-5-carboxamide is Cc1ccc(F)cc1NC(=O)c1cnc(C(C)C)[nH]1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-propan-2-yl-1H-imidazole-5-carboxamide?
The InChIKey is ZXHXHPGUCUBHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-8(2)13-16-7-12(17-13)14(19)18-11-6-10(15)5-4-9(11)3/h4-8H,1-3H3,(H,16,17)(H,18,19).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-propan-2-yl-1H-imidazole-5-carboxamide?
N-(5-fluoro-2-methylphenyl)-2-propan-2-yl-1H-imidazole-5-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-propan-2-yl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 86768472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).