1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole

C14H20N4 — CID 118636677

IUPAC1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole
SMILESc1cn(C[C@H]2CCCC[C@H]2Cn2ccnc2)cn1
InChIInChI=1S/C14H20N4/c1-2-4-14(10-18-8-6-16-12-18)13(3-1)9-17-7-5-15-11-17/h5-8,11-14H,1-4,9-10H2/t13-,14+
InChIKeyRPOKHGFTNVPKLI-OKILXGFUSA-N
MW244.34 g/mol
LogP2.59
Rot. Bonds4

About 1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole

1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole (PubChem CID 118636677) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole.

Molecular Properties

Compound Name1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole
PubChem CID118636677
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole
SMILESc1cn(C[C@H]2CCCC[C@H]2Cn2ccnc2)cn1
InChIInChI=1S/C14H20N4/c1-2-4-14(10-18-8-6-16-12-18)13(3-1)9-17-7-5-15-11-17/h5-8,11-14H,1-4,9-10H2/t13-,14+
InChIKeyRPOKHGFTNVPKLI-OKILXGFUSA-N
XLogP2.59
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclooctylmethyl)imidazole
CID 20550238
1-[[(1R,2S)-2-[4-(trifluoromethyl)phenoxy]cyclohexyl]methyl]imidazole
CID 44590981
(2S)-2-(imidazol-1-ylmethyl)cycloheptan-1-one
CID 93020339
1-(cyclohex-2-en-1-ylmethyl)imidazole
CID 20574509
1-[(5-methyloxolan-2-yl)methyl]imidazole
CID 103140191
1-(2-chloro-2-cyclohexylethyl)imidazole
CID 19870508
1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
CID 102846457
1-[[(1R)-3,3-difluorocyclopentyl]methyl]imidazole
CID 129320568
1-[(3,3-difluorocyclopentyl)methyl]imidazole
CID 126782218
cis-(1R,2S)-N-(2-imidazol-1-ylethyl)-N,2-dimethylcyclohexan-1-amine
CID 99581089
cis-(1S,2R)-N-(2-imidazol-1-ylethyl)-N,2-dimethylcyclohexan-1-amine
CID 99581081
3-cyclopentyl-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 90492630

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole?
The IUPAC name of 1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole (CID 118636677) is 1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole.
What is the SMILES notation for 1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole?
The canonical SMILES for 1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole is c1cn(C[C@H]2CCCC[C@H]2Cn2ccnc2)cn1.
What is the InChIKey of 1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole?
The InChIKey is RPOKHGFTNVPKLI-OKILXGFUSA-N. The full InChI is InChI=1S/C14H20N4/c1-2-4-14(10-18-8-6-16-12-18)13(3-1)9-17-7-5-15-11-17/h5-8,11-14H,1-4,9-10H2/t13-,14+.
What are the key properties of 1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole?
1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole has a molecular weight of 244.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole is sourced from PubChem (CID 118636677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).