4-[3-[(2S)-4-(furan-2-yl)butan-2-yl]-5-phenylimidazol-4-yl]-1,3,5-trimethylpyrazole

C23H26N4O — CID 95121622

IUPAC4-[3-[(2S)-4-(furan-2-yl)butan-2-yl]-5-phenylimidazol-4-yl]-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1-c1c(-c2ccccc2)ncn1[C@@H](C)CCc1ccco1
InChIInChI=1S/C23H26N4O/c1-16(12-13-20-11-8-14-28-20)27-15-24-22(19-9-6-5-7-10-19)23(27)21-17(2)25-26(4)18(21)3/h5-11,14-16H,12-13H2,1-4H3/t16-/m0/s1
InChIKeyMWKPNJVOBKGYJI-INIZCTEOSA-N
MW374.49 g/mol
LogP5.35
Rot. Bonds6

About 4-[3-[(2S)-4-(furan-2-yl)butan-2-yl]-5-phenylimidazol-4-yl]-1,3,5-trimethylpyrazole

4-[3-[(2S)-4-(furan-2-yl)butan-2-yl]-5-phenylimidazol-4-yl]-1,3,5-trimethylpyrazole (PubChem CID 95121622) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-[3-[(2S)-4-(furan-2-yl)butan-2-yl]-5-phenylimidazol-4-yl]-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-[3-[(2S)-4-(furan-2-yl)butan-2-yl]-5-phenylimidazol-4-yl]-1,3,5-trimethylpyrazole
PubChem CID95121622
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name4-[3-[(2S)-4-(furan-2-yl)butan-2-yl]-5-phenylimidazol-4-yl]-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1-c1c(-c2ccccc2)ncn1[C@@H](C)CCc1ccco1
InChIInChI=1S/C23H26N4O/c1-16(12-13-20-11-8-14-28-20)27-15-24-22(19-9-6-5-7-10-19)23(27)21-17(2)25-26(4)18(21)3/h5-11,14-16H,12-13H2,1-4H3/t16-/m0/s1
InChIKeyMWKPNJVOBKGYJI-INIZCTEOSA-N
XLogP5.35
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-1-[4-(furan-2-yl)butan-2-yl]-4-phenylimidazole
CID 50984585
5-cyclopropyl-1-[(2S)-4-(furan-2-yl)butan-2-yl]-4-phenylimidazole
CID 95148425
6-[4-(furan-2-yl)butan-2-yl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79297752
N-[4-(furan-2-yl)butan-2-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 19477976
5-(furan-2-yl)-1-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-4-phenylimidazole
CID 95123632
3-[1-[5-(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 135990218
3-[5-phenyl-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]phenol
CID 95121611
N-(furan-2-ylmethyl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46994739
1,5-dimethyl-3,4-diphenylpyrazole
CID 13146064
1-[4-(furan-2-yl)butan-2-yl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942681
N-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 18162415
4-[(3R)-3-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)butyl]morpholine
CID 95124690

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2S)-4-(furan-2-yl)butan-2-yl]-5-phenylimidazol-4-yl]-1,3,5-trimethylpyrazole?
The IUPAC name of 4-[3-[(2S)-4-(furan-2-yl)butan-2-yl]-5-phenylimidazol-4-yl]-1,3,5-trimethylpyrazole (CID 95121622) is 4-[3-[(2S)-4-(furan-2-yl)butan-2-yl]-5-phenylimidazol-4-yl]-1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-[3-[(2S)-4-(furan-2-yl)butan-2-yl]-5-phenylimidazol-4-yl]-1,3,5-trimethylpyrazole?
The canonical SMILES for 4-[3-[(2S)-4-(furan-2-yl)butan-2-yl]-5-phenylimidazol-4-yl]-1,3,5-trimethylpyrazole is Cc1nn(C)c(C)c1-c1c(-c2ccccc2)ncn1[C@@H](C)CCc1ccco1.
What is the InChIKey of 4-[3-[(2S)-4-(furan-2-yl)butan-2-yl]-5-phenylimidazol-4-yl]-1,3,5-trimethylpyrazole?
The InChIKey is MWKPNJVOBKGYJI-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16(12-13-20-11-8-14-28-20)27-15-24-22(19-9-6-5-7-10-19)23(27)21-17(2)25-26(4)18(21)3/h5-11,14-16H,12-13H2,1-4H3/t16-/m0/s1.
What are the key properties of 4-[3-[(2S)-4-(furan-2-yl)butan-2-yl]-5-phenylimidazol-4-yl]-1,3,5-trimethylpyrazole?
4-[3-[(2S)-4-(furan-2-yl)butan-2-yl]-5-phenylimidazol-4-yl]-1,3,5-trimethylpyrazole has a molecular weight of 374.49 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2S)-4-(furan-2-yl)butan-2-yl]-5-phenylimidazol-4-yl]-1,3,5-trimethylpyrazole is sourced from PubChem (CID 95121622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).