1-cyclohexyl-3-[2-(6-imidazol-1-yl-2-pyridinyl)ethyl]urea

C17H23N5O — CID 70887053

IUPAC1-cyclohexyl-3-[2-(6-imidazol-1-yl-2-pyridinyl)ethyl]urea
SMILESO=C(NCCc1cccc(-n2ccnc2)n1)NC1CCCCC1
InChIInChI=1S/C17H23N5O/c23-17(21-14-5-2-1-3-6-14)19-10-9-15-7-4-8-16(20-15)22-12-11-18-13-22/h4,7-8,11-14H,1-3,5-6,9-10H2,(H2,19,21,23)
InChIKeyXOVRFSNMDMDCPJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.44
Rot. Bonds5

About 1-cyclohexyl-3-[2-(6-imidazol-1-yl-2-pyridinyl)ethyl]urea

1-cyclohexyl-3-[2-(6-imidazol-1-yl-2-pyridinyl)ethyl]urea (PubChem CID 70887053) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(6-imidazol-1-yl-2-pyridinyl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(6-imidazol-1-yl-2-pyridinyl)ethyl]urea
PubChem CID70887053
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name1-cyclohexyl-3-[2-(6-imidazol-1-yl-2-pyridinyl)ethyl]urea
SMILESO=C(NCCc1cccc(-n2ccnc2)n1)NC1CCCCC1
InChIInChI=1S/C17H23N5O/c23-17(21-14-5-2-1-3-6-14)19-10-9-15-7-4-8-16(20-15)22-12-11-18-13-22/h4,7-8,11-14H,1-3,5-6,9-10H2,(H2,19,21,23)
InChIKeyXOVRFSNMDMDCPJ-UHFFFAOYSA-N
XLogP2.44
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-6-imidazol-1-ylpyridine-2-carboxamide;2-methoxyethanol;molecular hydrogen
CID 156885840
N-cyclohexyl-4-imidazol-1-ylpyrimidine-2-carboxamide;molecular hydrogen;trifluoromethanol
CID 166480997
N-cyclohexyl-3-[(2-imidazol-1-ylphenyl)methylcarbamoylamino]propanamide
CID 136578959
1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea
CID 110661120
N-cyclohexyl-6-imidazol-1-ylpyrazine-2-carboxamide;difluoromethane;molecular hydrogen
CID 166481425
1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693380
1-cyclopentyl-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)urea
CID 110661647
N-cyclohexyl-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
CID 155598646
1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 84516169
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-imidazol-1-ylpyrimidine-2-carboxamide
CID 166481322
1-cyclohexyl-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea
CID 46331537
1-(2-hydroxycyclohexyl)-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]urea
CID 110933396

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(6-imidazol-1-yl-2-pyridinyl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(6-imidazol-1-yl-2-pyridinyl)ethyl]urea (CID 70887053) is 1-cyclohexyl-3-[2-(6-imidazol-1-yl-2-pyridinyl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(6-imidazol-1-yl-2-pyridinyl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(6-imidazol-1-yl-2-pyridinyl)ethyl]urea is O=C(NCCc1cccc(-n2ccnc2)n1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(6-imidazol-1-yl-2-pyridinyl)ethyl]urea?
The InChIKey is XOVRFSNMDMDCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c23-17(21-14-5-2-1-3-6-14)19-10-9-15-7-4-8-16(20-15)22-12-11-18-13-22/h4,7-8,11-14H,1-3,5-6,9-10H2,(H2,19,21,23).
What are the key properties of 1-cyclohexyl-3-[2-(6-imidazol-1-yl-2-pyridinyl)ethyl]urea?
1-cyclohexyl-3-[2-(6-imidazol-1-yl-2-pyridinyl)ethyl]urea has a molecular weight of 313.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(6-imidazol-1-yl-2-pyridinyl)ethyl]urea is sourced from PubChem (CID 70887053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).