N-[1-(hydroxymethyl)cyclohexyl]imidazole-1-carboxamide

C11H17N3O2 — CID 81258007

IUPACN-[1-(hydroxymethyl)cyclohexyl]imidazole-1-carboxamide
SMILESO=C(NC1(CO)CCCCC1)n1ccnc1
InChIInChI=1S/C11H17N3O2/c15-8-11(4-2-1-3-5-11)13-10(16)14-7-6-12-9-14/h6-7,9,15H,1-5,8H2,(H,13,16)
InChIKeyHYGPYTRAEZIFGP-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.14
Rot. Bonds2

About N-[1-(hydroxymethyl)cyclohexyl]imidazole-1-carboxamide

N-[1-(hydroxymethyl)cyclohexyl]imidazole-1-carboxamide (PubChem CID 81258007) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]imidazole-1-carboxamide
PubChem CID81258007
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]imidazole-1-carboxamide
SMILESO=C(NC1(CO)CCCCC1)n1ccnc1
InChIInChI=1S/C11H17N3O2/c15-8-11(4-2-1-3-5-11)13-10(16)14-7-6-12-9-14/h6-7,9,15H,1-5,8H2,(H,13,16)
InChIKeyHYGPYTRAEZIFGP-UHFFFAOYSA-N
XLogP1.14
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]imidazole-1-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]imidazole-1-carboxamide (CID 81258007) is N-[1-(hydroxymethyl)cyclohexyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]imidazole-1-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]imidazole-1-carboxamide is O=C(NC1(CO)CCCCC1)n1ccnc1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]imidazole-1-carboxamide?
The InChIKey is HYGPYTRAEZIFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-8-11(4-2-1-3-5-11)13-10(16)14-7-6-12-9-14/h6-7,9,15H,1-5,8H2,(H,13,16).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]imidazole-1-carboxamide?
N-[1-(hydroxymethyl)cyclohexyl]imidazole-1-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]imidazole-1-carboxamide is sourced from PubChem (CID 81258007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).