(5S)-2-(cyclopentylmethoxymethyl)-5-phenyl-4,5-dihydro-1H-imidazole

C16H22N2O — CID 70887741

IUPAC(5S)-2-(cyclopentylmethoxymethyl)-5-phenyl-4,5-dihydro-1H-imidazole
SMILESc1ccc([C@H]2CN=C(COCC3CCCC3)N2)cc1
InChIInChI=1S/C16H22N2O/c1-2-8-14(9-3-1)15-10-17-16(18-15)12-19-11-13-6-4-5-7-13/h1-3,8-9,13,15H,4-7,10-12H2,(H,17,18)/t15-/m1/s1
InChIKeyCNMQXXDORFEJAP-OAHLLOKOSA-N
MW258.37 g/mol
LogP2.94
Rot. Bonds5

About (5S)-2-(cyclopentylmethoxymethyl)-5-phenyl-4,5-dihydro-1H-imidazole

(5S)-2-(cyclopentylmethoxymethyl)-5-phenyl-4,5-dihydro-1H-imidazole (PubChem CID 70887741) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is (5S)-2-(cyclopentylmethoxymethyl)-5-phenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(5S)-2-(cyclopentylmethoxymethyl)-5-phenyl-4,5-dihydro-1H-imidazole
PubChem CID70887741
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name(5S)-2-(cyclopentylmethoxymethyl)-5-phenyl-4,5-dihydro-1H-imidazole
SMILESc1ccc([C@H]2CN=C(COCC3CCCC3)N2)cc1
InChIInChI=1S/C16H22N2O/c1-2-8-14(9-3-1)15-10-17-16(18-15)12-19-11-13-6-4-5-7-13/h1-3,8-9,13,15H,4-7,10-12H2,(H,17,18)/t15-/m1/s1
InChIKeyCNMQXXDORFEJAP-OAHLLOKOSA-N
XLogP2.94
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
4-(phenylmethoxymethyl)oxepane
CID 151980287
N,N-dimethyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine
CID 14279394
2-(cyclohexylmethoxymethyl)benzaldehyde
CID 91656697
(6R)-2-methyl-6-phenyl-1,4,5,6-tetrahydropyrimidine
CID 134952379
5-(phenylmethoxymethyl)cyclooctan-1-one
CID 10900938
N-methyl-N-(oxan-3-ylmethyl)-5-phenyl-4,5-dihydro-1H-imidazol-2-amine
CID 166366975
1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene
CID 125465491
3-[(5S)-2-[(3-fluorophenoxy)methyl]-4,5-dihydro-1H-imidazol-5-yl]pyridine
CID 143001498
5-phenyl-2-(pyrrolidin-1-ylmethylsulfanyl)-4,5-dihydro-1H-imidazole
CID 169004868
5-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 66322137
cyclohexylmethoxybenzene
CID 14399287

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(cyclopentylmethoxymethyl)-5-phenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (5S)-2-(cyclopentylmethoxymethyl)-5-phenyl-4,5-dihydro-1H-imidazole (CID 70887741) is (5S)-2-(cyclopentylmethoxymethyl)-5-phenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (5S)-2-(cyclopentylmethoxymethyl)-5-phenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (5S)-2-(cyclopentylmethoxymethyl)-5-phenyl-4,5-dihydro-1H-imidazole is c1ccc([C@H]2CN=C(COCC3CCCC3)N2)cc1.
What is the InChIKey of (5S)-2-(cyclopentylmethoxymethyl)-5-phenyl-4,5-dihydro-1H-imidazole?
The InChIKey is CNMQXXDORFEJAP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-8-14(9-3-1)15-10-17-16(18-15)12-19-11-13-6-4-5-7-13/h1-3,8-9,13,15H,4-7,10-12H2,(H,17,18)/t15-/m1/s1.
What are the key properties of (5S)-2-(cyclopentylmethoxymethyl)-5-phenyl-4,5-dihydro-1H-imidazole?
(5S)-2-(cyclopentylmethoxymethyl)-5-phenyl-4,5-dihydro-1H-imidazole has a molecular weight of 258.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(cyclopentylmethoxymethyl)-5-phenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 70887741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).