4-[1-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]morpholine

C18H27N5O — CID 56863349

IUPAC4-[1-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]morpholine
SMILESCc1[nH]cnc1-c1nccn1CC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C18H27N5O/c1-15-16(21-14-20-15)17-19-7-8-22(17)13-18(5-3-2-4-6-18)23-9-11-24-12-10-23/h7-8,14H,2-6,9-13H2,1H3,(H,20,21)
InChIKeyCDNPYQUSXDUDOS-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.62
Rot. Bonds4

About 4-[1-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]morpholine

4-[1-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]morpholine (PubChem CID 56863349) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 4-[1-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]morpholine.

Molecular Properties

Compound Name4-[1-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]morpholine
PubChem CID56863349
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name4-[1-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]morpholine
SMILESCc1[nH]cnc1-c1nccn1CC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C18H27N5O/c1-15-16(21-14-20-15)17-19-7-8-22(17)13-18(5-3-2-4-6-18)23-9-11-24-12-10-23/h7-8,14H,2-6,9-13H2,1H3,(H,20,21)
InChIKeyCDNPYQUSXDUDOS-UHFFFAOYSA-N
XLogP2.62
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]morpholine with MolForge

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Related Compounds

2'-ethyl-5'-methyl-1-(tetrahydro-2H-pyran-2-ylmethyl)-1H,3'H-2,4'-biimidazole
CID 56868611
1-(2-methoxyethyl)-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56873208
1-[(1-cyclopentylpiperidin-4-yl)methyl]-2'-ethyl-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56878441
5'-methyl-1-{3-[(1-methylpiperidin-4-yl)oxy]propyl}-1H,3'H-2,4'-biimidazole
CID 70777526
1-(3-methylimidazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
CID 119109776
1-[(2'-butyl-1H,1'H-2,4'-biimidazol-1-yl)methyl]cyclohexanol
CID 56867054
4-({5-[1-(1H-imidazol-4-ylmethyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70722962
1-(1-ethyl-2-pyrrolidinyl)-N-(1H-imidazol-4-ylmethyl)-N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}methanamine
CID 45212641
1-(2-butyl-1H-imidazol-4-yl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}methanamine
CID 45224592
2-[(2-butyl-1H-imidazol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
CID 56859126
2'-ethyl-5'-methyl-1-(2-morpholin-4-ylethyl)-1H,3'H-2,4'-biimidazole
CID 56875881
4-[2-(1-{[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-2-piperidinyl)ethyl]morpholine
CID 70718319

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]morpholine?
The IUPAC name of 4-[1-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]morpholine (CID 56863349) is 4-[1-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]morpholine.
What is the SMILES notation for 4-[1-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]morpholine?
The canonical SMILES for 4-[1-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]morpholine is Cc1[nH]cnc1-c1nccn1CC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 4-[1-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]morpholine?
The InChIKey is CDNPYQUSXDUDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-15-16(21-14-20-15)17-19-7-8-22(17)13-18(5-3-2-4-6-18)23-9-11-24-12-10-23/h7-8,14H,2-6,9-13H2,1H3,(H,20,21).
What are the key properties of 4-[1-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]morpholine?
4-[1-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]morpholine has a molecular weight of 329.45 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]morpholine is sourced from PubChem (CID 56863349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).