1-[[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid

C14H22N4O3 — CID 115436956

IUPAC1-[[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(Cc1ncc[nH]1)C(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H22N4O3/c1-18(9-11-15-7-8-16-11)13(21)17-10-14(12(19)20)5-3-2-4-6-14/h7-8H,2-6,9-10H2,1H3,(H,15,16)(H,17,21)(H,19,20)
InChIKeyJOUZMQGDHCDDBL-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.59
Rot. Bonds5

About 1-[[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid

1-[[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 115436956) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID115436956
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name1-[[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(Cc1ncc[nH]1)C(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H22N4O3/c1-18(9-11-15-7-8-16-11)13(21)17-10-14(12(19)20)5-3-2-4-6-14/h7-8H,2-6,9-10H2,1H3,(H,15,16)(H,17,21)(H,19,20)
InChIKeyJOUZMQGDHCDDBL-UHFFFAOYSA-N
XLogP1.59
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

12-Imidazolyldodecanoic acid
CID 454103
9-(1H-imidazol-2-yl)nonanoic acid
CID 454104
8-(1H-imidazol-2-yl)octanoic acid
CID 54224671
7-(1H-Imidazol-2-yl)-heptanoic acid; hydrochloride
CID 12870347
1-(1-ethyl-1H-imidazol-2-yl)-4,4-difluorocyclohexane-1-carboxylic acid
CID 165635350
4,4-difluoro-1-(1H-imidazol-2-yl)cyclohexane-1-carboxylic acid
CID 165694352
11-(1H-imidazol-2-yl)undecanoic acid
CID 53764936
2-(1H-imidazol-2-yl)octanoic acid
CID 53910401
10-(1H-imidazol-2-yl)decanoic acid
CID 54070073
2-(1H-imidazol-2-yl)nonadecanoic acid
CID 57121225
2-(1H-imidazol-2-yl)nonanoic acid
CID 57459808
4-ethyl-2-(1H-imidazol-2-yl)-2,4-dimethyl-5-oxohexanoic acid
CID 58695090

Frequently Asked Questions

What is the IUPAC name of 1-[[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 115436956) is 1-[[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid is CN(Cc1ncc[nH]1)C(=O)NCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is JOUZMQGDHCDDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-18(9-11-15-7-8-16-11)13(21)17-10-14(12(19)20)5-3-2-4-6-14/h7-8H,2-6,9-10H2,1H3,(H,15,16)(H,17,21)(H,19,20).
What are the key properties of 1-[[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
1-[[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115436956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).