5-propan-2-yl-1H-imidazole-2-carboxamide

C7H11N3O — CID 66641619

IUPAC5-propan-2-yl-1H-imidazole-2-carboxamide
SMILESCC(C)c1cnc(C(N)=O)[nH]1
InChIInChI=1S/C7H11N3O/c1-4(2)5-3-9-7(10-5)6(8)11/h3-4H,1-2H3,(H2,8,11)(H,9,10)
InChIKeyZJMUJMNNJAVLDG-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.63
Rot. Bonds2

About 5-propan-2-yl-1H-imidazole-2-carboxamide

5-propan-2-yl-1H-imidazole-2-carboxamide (PubChem CID 66641619) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 5-propan-2-yl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-1H-imidazole-2-carboxamide
PubChem CID66641619
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name5-propan-2-yl-1H-imidazole-2-carboxamide
SMILESCC(C)c1cnc(C(N)=O)[nH]1
InChIInChI=1S/C7H11N3O/c1-4(2)5-3-9-7(10-5)6(8)11/h3-4H,1-2H3,(H2,8,11)(H,9,10)
InChIKeyZJMUJMNNJAVLDG-UHFFFAOYSA-N
XLogP0.63
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1H-imidazole-2-carboxamide?
The IUPAC name of 5-propan-2-yl-1H-imidazole-2-carboxamide (CID 66641619) is 5-propan-2-yl-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-propan-2-yl-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-propan-2-yl-1H-imidazole-2-carboxamide is CC(C)c1cnc(C(N)=O)[nH]1.
What is the InChIKey of 5-propan-2-yl-1H-imidazole-2-carboxamide?
The InChIKey is ZJMUJMNNJAVLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-4(2)5-3-9-7(10-5)6(8)11/h3-4H,1-2H3,(H2,8,11)(H,9,10).
What are the key properties of 5-propan-2-yl-1H-imidazole-2-carboxamide?
5-propan-2-yl-1H-imidazole-2-carboxamide has a molecular weight of 153.18 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 66641619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).