2-butoxy-5-methyl-N-phenyl-1H-imidazole-4-carboxamide

C15H19N3O2 — CID 14950829

IUPAC2-butoxy-5-methyl-N-phenyl-1H-imidazole-4-carboxamide
SMILESCCCCOc1nc(C(=O)Nc2ccccc2)c(C)[nH]1
InChIInChI=1S/C15H19N3O2/c1-3-4-10-20-15-16-11(2)13(18-15)14(19)17-12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyCBLRZNJSNXTNAZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.15
Rot. Bonds6

About 2-butoxy-5-methyl-N-phenyl-1H-imidazole-4-carboxamide

2-butoxy-5-methyl-N-phenyl-1H-imidazole-4-carboxamide (PubChem CID 14950829) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-butoxy-5-methyl-N-phenyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name2-butoxy-5-methyl-N-phenyl-1H-imidazole-4-carboxamide
PubChem CID14950829
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-butoxy-5-methyl-N-phenyl-1H-imidazole-4-carboxamide
SMILESCCCCOc1nc(C(=O)Nc2ccccc2)c(C)[nH]1
InChIInChI=1S/C15H19N3O2/c1-3-4-10-20-15-16-11(2)13(18-15)14(19)17-12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyCBLRZNJSNXTNAZ-UHFFFAOYSA-N
XLogP3.15
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethyl)-5-methyl-N-phenyl-1H-imidazole-4-carboxamide
CID 15128778
2-methoxy-5-(methoxymethyl)-N-phenyl-1H-imidazole-4-carboxamide
CID 10848979
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999
dodecyl N-phenylcarbamate
CID 521818
1-butoxy-3-phenylurea
CID 4061845
5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide
CID 17014853
2-butoxy-3H-quinazolin-4-one
CID 136999718
2-butoxy-N-(4-methylphenyl)benzamide
CID 4940933
N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-4-butoxybenzamide
CID 27621694
1-(2-butoxyphenyl)-3-phenylurea
CID 17087022

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-5-methyl-N-phenyl-1H-imidazole-4-carboxamide?
The IUPAC name of 2-butoxy-5-methyl-N-phenyl-1H-imidazole-4-carboxamide (CID 14950829) is 2-butoxy-5-methyl-N-phenyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for 2-butoxy-5-methyl-N-phenyl-1H-imidazole-4-carboxamide?
The canonical SMILES for 2-butoxy-5-methyl-N-phenyl-1H-imidazole-4-carboxamide is CCCCOc1nc(C(=O)Nc2ccccc2)c(C)[nH]1.
What is the InChIKey of 2-butoxy-5-methyl-N-phenyl-1H-imidazole-4-carboxamide?
The InChIKey is CBLRZNJSNXTNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-4-10-20-15-16-11(2)13(18-15)14(19)17-12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 2-butoxy-5-methyl-N-phenyl-1H-imidazole-4-carboxamide?
2-butoxy-5-methyl-N-phenyl-1H-imidazole-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-5-methyl-N-phenyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 14950829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).