1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazole

C23H25N5O — CID 95121676

IUPAC1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazole
SMILESCc1ncc(-c2c(-c3ccccc3)ncn2C[C@@H](c2ccco2)N2CCCC2)[nH]1
InChIInChI=1S/C23H25N5O/c1-17-24-14-19(26-17)23-22(18-8-3-2-4-9-18)25-16-28(23)15-20(21-10-7-13-29-21)27-11-5-6-12-27/h2-4,7-10,13-14,16,20H,5-6,11-12,15H2,1H3,(H,24,26)/t20-/m0/s1
InChIKeyAUWQNOXANKRNHS-FQEVSTJZSA-N
MW387.49 g/mol
LogP4.68
Rot. Bonds6

About 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazole

1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazole (PubChem CID 95121676) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazole.

Molecular Properties

Compound Name1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazole
PubChem CID95121676
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazole
SMILESCc1ncc(-c2c(-c3ccccc3)ncn2C[C@@H](c2ccco2)N2CCCC2)[nH]1
InChIInChI=1S/C23H25N5O/c1-17-24-14-19(26-17)23-22(18-8-3-2-4-9-18)25-16-28(23)15-20(21-10-7-13-29-21)27-11-5-6-12-27/h2-4,7-10,13-14,16,20H,5-6,11-12,15H2,1H3,(H,24,26)/t20-/m0/s1
InChIKeyAUWQNOXANKRNHS-FQEVSTJZSA-N
XLogP4.68
TPSA62.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-4-[3-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]propyl]-1H-pyrazole
CID 50965339
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea
CID 52503052
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 18080011
(2S)-1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol
CID 95128424
(2S)-2-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 9453091
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 34668497
3-(furan-2-yl)-3-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)propanoic acid
CID 70728951
(2R)-2-(furan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 93257792
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 41037776
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 40794551
1-[(R)-furan-2-yl(phenyl)methyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole
CID 95215329
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 26004114

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazole?
The IUPAC name of 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazole (CID 95121676) is 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazole.
What is the SMILES notation for 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazole?
The canonical SMILES for 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazole is Cc1ncc(-c2c(-c3ccccc3)ncn2C[C@@H](c2ccco2)N2CCCC2)[nH]1.
What is the InChIKey of 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazole?
The InChIKey is AUWQNOXANKRNHS-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17-24-14-19(26-17)23-22(18-8-3-2-4-9-18)25-16-28(23)15-20(21-10-7-13-29-21)27-11-5-6-12-27/h2-4,7-10,13-14,16,20H,5-6,11-12,15H2,1H3,(H,24,26)/t20-/m0/s1.
What are the key properties of 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazole?
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazole has a molecular weight of 387.49 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazole is sourced from PubChem (CID 95121676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).