(4R,5S)-2-cyclopenta-1,3-dien-1-yl-1,5-dimethyl-4-phenyl-4,5-dihydroimidazole

C16H18N2 — CID 139250822

IUPAC(4R,5S)-2-cyclopenta-1,3-dien-1-yl-1,5-dimethyl-4-phenyl-4,5-dihydroimidazole
SMILESC[C@H]1[C@@H](c2ccccc2)N=C(C2=CC=CC2)N1C
InChIInChI=1S/C16H18N2/c1-12-15(13-8-4-3-5-9-13)17-16(18(12)2)14-10-6-7-11-14/h3-10,12,15H,11H2,1-2H3/t12-,15-/m0/s1
InChIKeyLXAQKDHVLGIKAO-WFASDCNBSA-N
MW238.33 g/mol
LogP3.35
Rot. Bonds2

About (4R,5S)-2-cyclopenta-1,3-dien-1-yl-1,5-dimethyl-4-phenyl-4,5-dihydroimidazole

(4R,5S)-2-cyclopenta-1,3-dien-1-yl-1,5-dimethyl-4-phenyl-4,5-dihydroimidazole (PubChem CID 139250822) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (4R,5S)-2-cyclopenta-1,3-dien-1-yl-1,5-dimethyl-4-phenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name(4R,5S)-2-cyclopenta-1,3-dien-1-yl-1,5-dimethyl-4-phenyl-4,5-dihydroimidazole
PubChem CID139250822
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name(4R,5S)-2-cyclopenta-1,3-dien-1-yl-1,5-dimethyl-4-phenyl-4,5-dihydroimidazole
SMILESC[C@H]1[C@@H](c2ccccc2)N=C(C2=CC=CC2)N1C
InChIInChI=1S/C16H18N2/c1-12-15(13-8-4-3-5-9-13)17-16(18(12)2)14-10-6-7-11-14/h3-10,12,15H,11H2,1-2H3/t12-,15-/m0/s1
InChIKeyLXAQKDHVLGIKAO-WFASDCNBSA-N
XLogP3.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene
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(4S,5S)-1,2,4,5-tetraphenyl-4,5-dihydroimidazole
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CID 174520599
(3-cyclopenta-1,3-dien-1-yl-2-phenyl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane;zirconium(2+);dichloride
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7-cyclohepta-1,3,5-trien-1-yl-4-phenyl-4,5-dihydro-1H-1,3-diazepine
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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-cyclopenta-1,3-dien-1-yl-1,5-dimethyl-4-phenyl-4,5-dihydroimidazole?
The IUPAC name of (4R,5S)-2-cyclopenta-1,3-dien-1-yl-1,5-dimethyl-4-phenyl-4,5-dihydroimidazole (CID 139250822) is (4R,5S)-2-cyclopenta-1,3-dien-1-yl-1,5-dimethyl-4-phenyl-4,5-dihydroimidazole.
What is the SMILES notation for (4R,5S)-2-cyclopenta-1,3-dien-1-yl-1,5-dimethyl-4-phenyl-4,5-dihydroimidazole?
The canonical SMILES for (4R,5S)-2-cyclopenta-1,3-dien-1-yl-1,5-dimethyl-4-phenyl-4,5-dihydroimidazole is C[C@H]1[C@@H](c2ccccc2)N=C(C2=CC=CC2)N1C.
What is the InChIKey of (4R,5S)-2-cyclopenta-1,3-dien-1-yl-1,5-dimethyl-4-phenyl-4,5-dihydroimidazole?
The InChIKey is LXAQKDHVLGIKAO-WFASDCNBSA-N. The full InChI is InChI=1S/C16H18N2/c1-12-15(13-8-4-3-5-9-13)17-16(18(12)2)14-10-6-7-11-14/h3-10,12,15H,11H2,1-2H3/t12-,15-/m0/s1.
What are the key properties of (4R,5S)-2-cyclopenta-1,3-dien-1-yl-1,5-dimethyl-4-phenyl-4,5-dihydroimidazole?
(4R,5S)-2-cyclopenta-1,3-dien-1-yl-1,5-dimethyl-4-phenyl-4,5-dihydroimidazole has a molecular weight of 238.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-cyclopenta-1,3-dien-1-yl-1,5-dimethyl-4-phenyl-4,5-dihydroimidazole is sourced from PubChem (CID 139250822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).