5-methyl-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1H-imidazole-2-carboxamide

C13H19N5O — CID 91830682

IUPAC5-methyl-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)NC(c2nccn2C)C(C)C)[nH]1
InChIInChI=1S/C13H19N5O/c1-8(2)10(12-14-5-6-18(12)4)17-13(19)11-15-7-9(3)16-11/h5-8,10H,1-4H3,(H,15,16)(H,17,19)
InChIKeyGUTFJQUVGBCVRJ-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.58
Rot. Bonds4

About 5-methyl-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1H-imidazole-2-carboxamide

5-methyl-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1H-imidazole-2-carboxamide (PubChem CID 91830682) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1H-imidazole-2-carboxamide
PubChem CID91830682
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name5-methyl-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)NC(c2nccn2C)C(C)C)[nH]1
InChIInChI=1S/C13H19N5O/c1-8(2)10(12-14-5-6-18(12)4)17-13(19)11-15-7-9(3)16-11/h5-8,10H,1-4H3,(H,15,16)(H,17,19)
InChIKeyGUTFJQUVGBCVRJ-UHFFFAOYSA-N
XLogP1.58
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1H-imidazole-2-carboxamide (CID 91830682) is 5-methyl-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1H-imidazole-2-carboxamide is Cc1cnc(C(=O)NC(c2nccn2C)C(C)C)[nH]1.
What is the InChIKey of 5-methyl-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1H-imidazole-2-carboxamide?
The InChIKey is GUTFJQUVGBCVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-8(2)10(12-14-5-6-18(12)4)17-13(19)11-15-7-9(3)16-11/h5-8,10H,1-4H3,(H,15,16)(H,17,19).
What are the key properties of 5-methyl-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1H-imidazole-2-carboxamide?
5-methyl-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1H-imidazole-2-carboxamide has a molecular weight of 261.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 91830682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).