N-[(5-cyclopropyl-2-methylphenyl)methyl]-1H-imidazole-2-carboxamide

C15H17N3O — CID 166318416

IUPACN-[(5-cyclopropyl-2-methylphenyl)methyl]-1H-imidazole-2-carboxamide
SMILESCc1ccc(C2CC2)cc1CNC(=O)c1ncc[nH]1
InChIInChI=1S/C15H17N3O/c1-10-2-3-12(11-4-5-11)8-13(10)9-18-15(19)14-16-6-7-17-14/h2-3,6-8,11H,4-5,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyBDNPOZWNPJYPDH-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.53
Rot. Bonds4

About N-[(5-cyclopropyl-2-methylphenyl)methyl]-1H-imidazole-2-carboxamide

N-[(5-cyclopropyl-2-methylphenyl)methyl]-1H-imidazole-2-carboxamide (PubChem CID 166318416) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(5-cyclopropyl-2-methylphenyl)methyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-2-methylphenyl)methyl]-1H-imidazole-2-carboxamide
PubChem CID166318416
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[(5-cyclopropyl-2-methylphenyl)methyl]-1H-imidazole-2-carboxamide
SMILESCc1ccc(C2CC2)cc1CNC(=O)c1ncc[nH]1
InChIInChI=1S/C15H17N3O/c1-10-2-3-12(11-4-5-11)8-13(10)9-18-15(19)14-16-6-7-17-14/h2-3,6-8,11H,4-5,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyBDNPOZWNPJYPDH-UHFFFAOYSA-N
XLogP2.53
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-2-methylphenyl)methyl]-1H-imidazole-2-carboxamide?
The IUPAC name of N-[(5-cyclopropyl-2-methylphenyl)methyl]-1H-imidazole-2-carboxamide (CID 166318416) is N-[(5-cyclopropyl-2-methylphenyl)methyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[(5-cyclopropyl-2-methylphenyl)methyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[(5-cyclopropyl-2-methylphenyl)methyl]-1H-imidazole-2-carboxamide is Cc1ccc(C2CC2)cc1CNC(=O)c1ncc[nH]1.
What is the InChIKey of N-[(5-cyclopropyl-2-methylphenyl)methyl]-1H-imidazole-2-carboxamide?
The InChIKey is BDNPOZWNPJYPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-2-3-12(11-4-5-11)8-13(10)9-18-15(19)14-16-6-7-17-14/h2-3,6-8,11H,4-5,9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-[(5-cyclopropyl-2-methylphenyl)methyl]-1H-imidazole-2-carboxamide?
N-[(5-cyclopropyl-2-methylphenyl)methyl]-1H-imidazole-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-2-methylphenyl)methyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 166318416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).