1-(cyclohexylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yltriazole-4-carboxamide

C18H28N6O — CID 42097962

IUPAC1-(cyclohexylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yltriazole-4-carboxamide
SMILESCC(C)N(Cc1nccn1C)C(=O)c1cn(CC2CCCCC2)nn1
InChIInChI=1S/C18H28N6O/c1-14(2)24(13-17-19-9-10-22(17)3)18(25)16-12-23(21-20-16)11-15-7-5-4-6-8-15/h9-10,12,14-15H,4-8,11,13H2,1-3H3
InChIKeyNYFXMGUGGUPYSN-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.64
Rot. Bonds6

About 1-(cyclohexylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yltriazole-4-carboxamide

1-(cyclohexylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yltriazole-4-carboxamide (PubChem CID 42097962) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yltriazole-4-carboxamide
PubChem CID42097962
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name1-(cyclohexylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yltriazole-4-carboxamide
SMILESCC(C)N(Cc1nccn1C)C(=O)c1cn(CC2CCCCC2)nn1
InChIInChI=1S/C18H28N6O/c1-14(2)24(13-17-19-9-10-22(17)3)18(25)16-12-23(21-20-16)11-15-7-5-4-6-8-15/h9-10,12,14-15H,4-8,11,13H2,1-3H3
InChIKeyNYFXMGUGGUPYSN-UHFFFAOYSA-N
XLogP2.64
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yltriazole-4-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yltriazole-4-carboxamide (CID 42097962) is 1-(cyclohexylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yltriazole-4-carboxamide is CC(C)N(Cc1nccn1C)C(=O)c1cn(CC2CCCCC2)nn1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yltriazole-4-carboxamide?
The InChIKey is NYFXMGUGGUPYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-14(2)24(13-17-19-9-10-22(17)3)18(25)16-12-23(21-20-16)11-15-7-5-4-6-8-15/h9-10,12,14-15H,4-8,11,13H2,1-3H3.
What are the key properties of 1-(cyclohexylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yltriazole-4-carboxamide?
1-(cyclohexylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yltriazole-4-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 42097962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).