1-methyl-N-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxamide

C9H13N3O — CID 131065705

IUPAC1-methyl-N-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxamide
SMILESCc1cnc(NC(=O)C2(C)CC2)[nH]1
InChIInChI=1S/C9H13N3O/c1-6-5-10-8(11-6)12-7(13)9(2)3-4-9/h5H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyNVRGPIMOXFVKTP-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.46
Rot. Bonds2

About 1-methyl-N-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxamide

1-methyl-N-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 131065705) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-methyl-N-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxamide
PubChem CID131065705
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-methyl-N-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxamide
SMILESCc1cnc(NC(=O)C2(C)CC2)[nH]1
InChIInChI=1S/C9H13N3O/c1-6-5-10-8(11-6)12-7(13)9(2)3-4-9/h5H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyNVRGPIMOXFVKTP-UHFFFAOYSA-N
XLogP1.46
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-methyl-N-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxamide (CID 131065705) is 1-methyl-N-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-methyl-N-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxamide is Cc1cnc(NC(=O)C2(C)CC2)[nH]1.
What is the InChIKey of 1-methyl-N-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is NVRGPIMOXFVKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-5-10-8(11-6)12-7(13)9(2)3-4-9/h5H,3-4H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 1-methyl-N-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxamide?
1-methyl-N-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 131065705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).