N-(3-methylbutyl)-4-phenylimidazole-1-carboxamide

C15H19N3O — CID 156708451

IUPACN-(3-methylbutyl)-4-phenylimidazole-1-carboxamide
SMILESCC(C)CCNC(=O)n1cnc(-c2ccccc2)c1
InChIInChI=1S/C15H19N3O/c1-12(2)8-9-16-15(19)18-10-14(17-11-18)13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H,16,19)
InChIKeyDAHNPRMNVRDQST-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.15
Rot. Bonds4

About N-(3-methylbutyl)-4-phenylimidazole-1-carboxamide

N-(3-methylbutyl)-4-phenylimidazole-1-carboxamide (PubChem CID 156708451) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-phenylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-phenylimidazole-1-carboxamide
PubChem CID156708451
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(3-methylbutyl)-4-phenylimidazole-1-carboxamide
SMILESCC(C)CCNC(=O)n1cnc(-c2ccccc2)c1
InChIInChI=1S/C15H19N3O/c1-12(2)8-9-16-15(19)18-10-14(17-11-18)13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H,16,19)
InChIKeyDAHNPRMNVRDQST-UHFFFAOYSA-N
XLogP3.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-phenylimidazole-1-carboxamide?
The IUPAC name of N-(3-methylbutyl)-4-phenylimidazole-1-carboxamide (CID 156708451) is N-(3-methylbutyl)-4-phenylimidazole-1-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-4-phenylimidazole-1-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-4-phenylimidazole-1-carboxamide is CC(C)CCNC(=O)n1cnc(-c2ccccc2)c1.
What is the InChIKey of N-(3-methylbutyl)-4-phenylimidazole-1-carboxamide?
The InChIKey is DAHNPRMNVRDQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12(2)8-9-16-15(19)18-10-14(17-11-18)13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H,16,19).
What are the key properties of N-(3-methylbutyl)-4-phenylimidazole-1-carboxamide?
N-(3-methylbutyl)-4-phenylimidazole-1-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-phenylimidazole-1-carboxamide is sourced from PubChem (CID 156708451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).