4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;(4R)-7-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;1-[(5-fluoro-2-methylphenyl)methyl]-5-methyl-2-(4-methylphenyl)imidazole;4-methyl-N-prop-2-ynylbenzamide

C99H107F4N9O7 — CID 159404828

IUPAC4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;(4R)-7-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;1-[(5-fluoro-2-methylphenyl)methyl]-5-methyl-2-(4-methylphenyl)imidazole;4-methyl-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccc(C)cc1.CC(=O)C[C@H](C)CCCOc1ccc(F)cc1Cn1c(C)cnc1-c1ccc(C)cc1.Cc1ccc(-c2ncc(C)n2Cc2cc(F)ccc2C)cc1.Cc1ccc(-c2ncc(C)n2Cc2cc(F)ccc2O)cc1.Cc1ccc(-c2ncc(C)n2Cc2cc(F)ccc2OCCC[C@@H](C)CC(=O)O)cc1
InChIInChI=1S/C26H31FN2O2.C25H29FN2O3.C19H19FN2.C18H17FN2O.C11H11NO/c1-18-7-9-22(10-8-18)26-28-16-20(3)29(26)17-23-15-24(27)11-12-25(23)31-13-5-6-19(2)14-21(4)30;1-17-6-8-20(9-7-17)25-27-15-19(3)28(25)16-21-14-22(26)10-11-23(21)31-12-4-5-18(2)13-24(29)30;1-13-4-7-16(8-5-13)19-21-11-15(3)22(19)12-17-10-18(20)9-6-14(17)2;1-12-3-5-14(6-4-12)18-20-10-13(2)21(18)11-15-9-16(19)7-8-17(15)22;1-3-8-12-11(13)10-6-4-9(2)5-7-10/h7-12,15-16,19H,5-6,13-14,17H2,1-4H3;6-11,14-15,18H,4-5,12-13,16H2,1-3H3,(H,29,30);4-11H,12H2,1-3H3;3-10,22H,11H2,1-2H3;1,4-7H,8H2,2H3,(H,12,13)/t19-;18-;;;/m11.../s1
InChIKeyLNUXDHLSYXYGQL-QZRYCOBLSA-N
MW1610.99 g/mol
LogP21.83
Rot. Bonds28

About 4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;(4R)-7-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;1-[(5-fluoro-2-methylphenyl)methyl]-5-methyl-2-(4-methylphenyl)imidazole;4-methyl-N-prop-2-ynylbenzamide

4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;(4R)-7-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;1-[(5-fluoro-2-methylphenyl)methyl]-5-methyl-2-(4-methylphenyl)imidazole;4-methyl-N-prop-2-ynylbenzamide (PubChem CID 159404828) has the molecular formula C99H107F4N9O7 and a molecular weight of 1610.99 g/mol. Its IUPAC name is 4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;(4R)-7-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;1-[(5-fluoro-2-methylphenyl)methyl]-5-methyl-2-(4-methylphenyl)imidazole;4-methyl-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;(4R)-7-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;1-[(5-fluoro-2-methylphenyl)methyl]-5-methyl-2-(4-methylphenyl)imidazole;4-methyl-N-prop-2-ynylbenzamide
PubChem CID159404828
Molecular FormulaC99H107F4N9O7
Molecular Weight1610.99 g/mol
Exact Mass1609.82
IUPAC Name4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;(4R)-7-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;1-[(5-fluoro-2-methylphenyl)methyl]-5-methyl-2-(4-methylphenyl)imidazole;4-methyl-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccc(C)cc1.CC(=O)C[C@H](C)CCCOc1ccc(F)cc1Cn1c(C)cnc1-c1ccc(C)cc1.Cc1ccc(-c2ncc(C)n2Cc2cc(F)ccc2C)cc1.Cc1ccc(-c2ncc(C)n2Cc2cc(F)ccc2O)cc1.Cc1ccc(-c2ncc(C)n2Cc2cc(F)ccc2OCCC[C@@H](C)CC(=O)O)cc1
InChIInChI=1S/C26H31FN2O2.C25H29FN2O3.C19H19FN2.C18H17FN2O.C11H11NO/c1-18-7-9-22(10-8-18)26-28-16-20(3)29(26)17-23-15-24(27)11-12-25(23)31-13-5-6-19(2)14-21(4)30;1-17-6-8-20(9-7-17)25-27-15-19(3)28(25)16-21-14-22(26)10-11-23(21)31-12-4-5-18(2)13-24(29)30;1-13-4-7-16(8-5-13)19-21-11-15(3)22(19)12-17-10-18(20)9-6-14(17)2;1-12-3-5-14(6-4-12)18-20-10-13(2)21(18)11-15-9-16(19)7-8-17(15)22;1-3-8-12-11(13)10-6-4-9(2)5-7-10/h7-12,15-16,19H,5-6,13-14,17H2,1-4H3;6-11,14-15,18H,4-5,12-13,16H2,1-3H3,(H,29,30);4-11H,12H2,1-3H3;3-10,22H,11H2,1-2H3;1,4-7H,8H2,2H3,(H,12,13)/t19-;18-;;;/m11.../s1
InChIKeyLNUXDHLSYXYGQL-QZRYCOBLSA-N
XLogP21.83
TPSA193.44 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds28
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001610.99
LogP ≤ 521.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;(4R)-7-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;1-[(5-fluoro-2-methylphenyl)methyl]-5-methyl-2-(4-methylphenyl)imidazole;4-methyl-N-prop-2-ynylbenzamide with MolForge

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Related Compounds

ethyl (3R)-6-[4-fluoro-2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]-3-methylhexanoate
CID 129027012
3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid
CID 126752364
(3R)-3-amino-6-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid
CID 129027008
4-(difluoromethoxy)-3-methoxy-N-prop-2-ynylbenzamide
CID 18109915
4-(18F)fluoro-N-prop-2-ynyl(18F)benzamide
CID 87412012
3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide
CID 18109976
4-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylbutanoic acid
CID 107675055
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-prop-2-ynylpropanamide
CID 86919580
N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-3,4-dimethoxybenzamide
CID 4656833
propan-2-yl 2-methyl-5-(prop-2-ynylcarbamoyl)benzenesulfonate
CID 134558180
3-fluoro-N-hex-5-ynyl-4-methoxybenzamide
CID 113256108

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;(4R)-7-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;1-[(5-fluoro-2-methylphenyl)methyl]-5-methyl-2-(4-methylphenyl)imidazole;4-methyl-N-prop-2-ynylbenzamide?
The IUPAC name of 4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;(4R)-7-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;1-[(5-fluoro-2-methylphenyl)methyl]-5-methyl-2-(4-methylphenyl)imidazole;4-methyl-N-prop-2-ynylbenzamide (CID 159404828) is 4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;(4R)-7-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;1-[(5-fluoro-2-methylphenyl)methyl]-5-methyl-2-(4-methylphenyl)imidazole;4-methyl-N-prop-2-ynylbenzamide.
What is the SMILES notation for 4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;(4R)-7-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;1-[(5-fluoro-2-methylphenyl)methyl]-5-methyl-2-(4-methylphenyl)imidazole;4-methyl-N-prop-2-ynylbenzamide?
The canonical SMILES for 4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;(4R)-7-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;1-[(5-fluoro-2-methylphenyl)methyl]-5-methyl-2-(4-methylphenyl)imidazole;4-methyl-N-prop-2-ynylbenzamide is C#CCNC(=O)c1ccc(C)cc1.CC(=O)C[C@H](C)CCCOc1ccc(F)cc1Cn1c(C)cnc1-c1ccc(C)cc1.Cc1ccc(-c2ncc(C)n2Cc2cc(F)ccc2C)cc1.Cc1ccc(-c2ncc(C)n2Cc2cc(F)ccc2O)cc1.Cc1ccc(-c2ncc(C)n2Cc2cc(F)ccc2OCCC[C@@H](C)CC(=O)O)cc1.
What is the InChIKey of 4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;(4R)-7-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;1-[(5-fluoro-2-methylphenyl)methyl]-5-methyl-2-(4-methylphenyl)imidazole;4-methyl-N-prop-2-ynylbenzamide?
The InChIKey is LNUXDHLSYXYGQL-QZRYCOBLSA-N. The full InChI is InChI=1S/C26H31FN2O2.C25H29FN2O3.C19H19FN2.C18H17FN2O.C11H11NO/c1-18-7-9-22(10-8-18)26-28-16-20(3)29(26)17-23-15-24(27)11-12-25(23)31-13-5-6-19(2)14-21(4)30;1-17-6-8-20(9-7-17)25-27-15-19(3)28(25)16-21-14-22(26)10-11-23(21)31-12-4-5-18(2)13-24(29)30;1-13-4-7-16(8-5-13)19-21-11-15(3)22(19)12-17-10-18(20)9-6-14(17)2;1-12-3-5-14(6-4-12)18-20-10-13(2)21(18)11-15-9-16(19)7-8-17(15)22;1-3-8-12-11(13)10-6-4-9(2)5-7-10/h7-12,15-16,19H,5-6,13-14,17H2,1-4H3;6-11,14-15,18H,4-5,12-13,16H2,1-3H3,(H,29,30);4-11H,12H2,1-3H3;3-10,22H,11H2,1-2H3;1,4-7H,8H2,2H3,(H,12,13)/t19-;18-;;;/m11.../s1.
What are the key properties of 4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;(4R)-7-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;1-[(5-fluoro-2-methylphenyl)methyl]-5-methyl-2-(4-methylphenyl)imidazole;4-methyl-N-prop-2-ynylbenzamide?
4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;(4R)-7-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;1-[(5-fluoro-2-methylphenyl)methyl]-5-methyl-2-(4-methylphenyl)imidazole;4-methyl-N-prop-2-ynylbenzamide has a molecular weight of 1610.99 g/mol, XLogP of 21.83, 28 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;(4R)-7-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;1-[(5-fluoro-2-methylphenyl)methyl]-5-methyl-2-(4-methylphenyl)imidazole;4-methyl-N-prop-2-ynylbenzamide is sourced from PubChem (CID 159404828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).