N-cyclopropyl-3-methyl-N-(3-methylpentan-2-yl)imidazole-4-carboxamide

C14H23N3O — CID 119049404

IUPACN-cyclopropyl-3-methyl-N-(3-methylpentan-2-yl)imidazole-4-carboxamide
SMILESCCC(C)C(C)N(C(=O)c1cncn1C)C1CC1
InChIInChI=1S/C14H23N3O/c1-5-10(2)11(3)17(12-6-7-12)14(18)13-8-15-9-16(13)4/h8-12H,5-7H2,1-4H3
InChIKeyMBALKFAENGLMRX-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.46
Rot. Bonds5

About N-cyclopropyl-3-methyl-N-(3-methylpentan-2-yl)imidazole-4-carboxamide

N-cyclopropyl-3-methyl-N-(3-methylpentan-2-yl)imidazole-4-carboxamide (PubChem CID 119049404) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-N-(3-methylpentan-2-yl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-N-(3-methylpentan-2-yl)imidazole-4-carboxamide
PubChem CID119049404
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-cyclopropyl-3-methyl-N-(3-methylpentan-2-yl)imidazole-4-carboxamide
SMILESCCC(C)C(C)N(C(=O)c1cncn1C)C1CC1
InChIInChI=1S/C14H23N3O/c1-5-10(2)11(3)17(12-6-7-12)14(18)13-8-15-9-16(13)4/h8-12H,5-7H2,1-4H3
InChIKeyMBALKFAENGLMRX-UHFFFAOYSA-N
XLogP2.46
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 122652273
US10858362, Example 62
CID 122652305
US10858362, Example 8
CID 122652314
US10858362, Example 85
CID 122652381
US10858362, Example 60
CID 122652455
US10858362, Example 59
CID 122652457
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CID 167524481
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US11691968, Example 65
CID 167524507

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methyl-N-(3-methylpentan-2-yl)imidazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-3-methyl-N-(3-methylpentan-2-yl)imidazole-4-carboxamide (CID 119049404) is N-cyclopropyl-3-methyl-N-(3-methylpentan-2-yl)imidazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-methyl-N-(3-methylpentan-2-yl)imidazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-3-methyl-N-(3-methylpentan-2-yl)imidazole-4-carboxamide is CCC(C)C(C)N(C(=O)c1cncn1C)C1CC1.
What is the InChIKey of N-cyclopropyl-3-methyl-N-(3-methylpentan-2-yl)imidazole-4-carboxamide?
The InChIKey is MBALKFAENGLMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-10(2)11(3)17(12-6-7-12)14(18)13-8-15-9-16(13)4/h8-12H,5-7H2,1-4H3.
What are the key properties of N-cyclopropyl-3-methyl-N-(3-methylpentan-2-yl)imidazole-4-carboxamide?
N-cyclopropyl-3-methyl-N-(3-methylpentan-2-yl)imidazole-4-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-N-(3-methylpentan-2-yl)imidazole-4-carboxamide is sourced from PubChem (CID 119049404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).