N-[3-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide

C18H23N5O2 — CID 75438864

IUPACN-[3-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide
SMILESO=C(NCc1ncc[nH]1)Nc1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C18H23N5O2/c24-17(13-5-2-1-3-6-13)22-14-7-4-8-15(11-14)23-18(25)21-12-16-19-9-10-20-16/h4,7-11,13H,1-3,5-6,12H2,(H,19,20)(H,22,24)(H2,21,23,25)
InChIKeyFUXGDUBKQFAITF-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.25
Rot. Bonds5

About N-[3-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide

N-[3-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide (PubChem CID 75438864) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[3-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide
PubChem CID75438864
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[3-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide
SMILESO=C(NCc1ncc[nH]1)Nc1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C18H23N5O2/c24-17(13-5-2-1-3-6-13)22-14-7-4-8-15(11-14)23-18(25)21-12-16-19-9-10-20-16/h4,7-11,13H,1-3,5-6,12H2,(H,19,20)(H,22,24)(H2,21,23,25)
InChIKeyFUXGDUBKQFAITF-UHFFFAOYSA-N
XLogP3.25
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(4,6-dimethylpyrimidin-2-yl)methylcarbamoylamino]phenyl]cyclopentanecarboxamide
CID 72840289
1-(1H-imidazol-2-ylmethyl)-3-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]urea
CID 75438829
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea
CID 64524358
1-(3,5-difluorophenyl)-3-(1H-imidazol-2-ylmethyl)urea
CID 75389672
[3-(1H-imidazol-2-ylmethylamino)phenyl]urea
CID 54976227
N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide
CID 28620674
1-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120551523
(3R)-1-N-cyclopentyl-3-N-(1H-imidazol-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 96568857
2-chloro-6-(1H-imidazol-2-ylmethylcarbamoylamino)benzoic acid
CID 64525317
N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 71884647
N-[3-[[[(1R,3S)-3-cyclopropylcyclohexyl]carbamoylamino]methyl]phenyl]cyclohexanecarboxamide
CID 167928606
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide (CID 75438864) is N-[3-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide is O=C(NCc1ncc[nH]1)Nc1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[3-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide?
The InChIKey is FUXGDUBKQFAITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-17(13-5-2-1-3-6-13)22-14-7-4-8-15(11-14)23-18(25)21-12-16-19-9-10-20-16/h4,7-11,13H,1-3,5-6,12H2,(H,19,20)(H,22,24)(H2,21,23,25).
What are the key properties of N-[3-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide?
N-[3-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide has a molecular weight of 341.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 75438864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).