4-butyl-N-[(4-butylphenyl)-(1-methyl-4-phenylimidazol-2-yl)methyl]aniline;4-butyl-N-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]aniline;N-[(4-butylphenyl)-(2-phenyl-1,3-thiazol-4-yl)methyl]butan-1-amine;N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]-2,6-di(propan-2-yl)aniline

C107H127N9S3 — CID 158336035

IUPAC4-butyl-N-[(4-butylphenyl)-(1-methyl-4-phenylimidazol-2-yl)methyl]aniline;4-butyl-N-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]aniline;N-[(4-butylphenyl)-(2-phenyl-1,3-thiazol-4-yl)methyl]butan-1-amine;N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]-2,6-di(propan-2-yl)aniline
SMILESCCCCC(Nc1c(C(C)C)cccc1C(C)C)c1csc(-c2ccccc2)n1.CCCCNC(c1ccc(CCCC)cc1)c1csc(-c2ccccc2)n1.CCCCc1ccc(NC(c2ccc(CCCC)cc2)c2nc(-c3ccccc3)cn2C)cc1.CCCCc1ccc(NC(c2ccccc2)c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C31H37N3.C26H26N2S.C26H34N2S.C24H30N2S/c1-4-6-11-24-15-19-27(20-16-24)30(32-28-21-17-25(18-22-28)12-7-5-2)31-33-29(23-34(31)3)26-13-9-8-10-14-26;1-2-3-10-20-15-17-23(18-16-20)27-25(21-11-6-4-7-12-21)24-19-29-26(28-24)22-13-8-5-9-14-22;1-6-7-16-23(24-17-29-26(28-24)20-12-9-8-10-13-20)27-25-21(18(2)3)14-11-15-22(25)19(4)5;1-3-5-10-19-13-15-20(16-14-19)23(25-17-6-4-2)22-18-27-24(26-22)21-11-8-7-9-12-21/h8-10,13-23,30,32H,4-7,11-12H2,1-3H3;4-9,11-19,25,27H,2-3,10H2,1H3;8-15,17-19,23,27H,6-7,16H2,1-5H3;7-9,11-16,18,23,25H,3-6,10,17H2,1-2H3
InChIKeyGQOZOKJCDFJUAA-UHFFFAOYSA-N
MW1635.46 g/mol
LogP30.36
Rot. Bonds38

About 4-butyl-N-[(4-butylphenyl)-(1-methyl-4-phenylimidazol-2-yl)methyl]aniline;4-butyl-N-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]aniline;N-[(4-butylphenyl)-(2-phenyl-1,3-thiazol-4-yl)methyl]butan-1-amine;N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]-2,6-di(propan-2-yl)aniline

4-butyl-N-[(4-butylphenyl)-(1-methyl-4-phenylimidazol-2-yl)methyl]aniline;4-butyl-N-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]aniline;N-[(4-butylphenyl)-(2-phenyl-1,3-thiazol-4-yl)methyl]butan-1-amine;N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]-2,6-di(propan-2-yl)aniline (PubChem CID 158336035) has the molecular formula C107H127N9S3 and a molecular weight of 1635.46 g/mol. Its IUPAC name is 4-butyl-N-[(4-butylphenyl)-(1-methyl-4-phenylimidazol-2-yl)methyl]aniline;4-butyl-N-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]aniline;N-[(4-butylphenyl)-(2-phenyl-1,3-thiazol-4-yl)methyl]butan-1-amine;N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound Name4-butyl-N-[(4-butylphenyl)-(1-methyl-4-phenylimidazol-2-yl)methyl]aniline;4-butyl-N-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]aniline;N-[(4-butylphenyl)-(2-phenyl-1,3-thiazol-4-yl)methyl]butan-1-amine;N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]-2,6-di(propan-2-yl)aniline
PubChem CID158336035
Molecular FormulaC107H127N9S3
Molecular Weight1635.46 g/mol
Exact Mass1633.94
IUPAC Name4-butyl-N-[(4-butylphenyl)-(1-methyl-4-phenylimidazol-2-yl)methyl]aniline;4-butyl-N-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]aniline;N-[(4-butylphenyl)-(2-phenyl-1,3-thiazol-4-yl)methyl]butan-1-amine;N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]-2,6-di(propan-2-yl)aniline
SMILESCCCCC(Nc1c(C(C)C)cccc1C(C)C)c1csc(-c2ccccc2)n1.CCCCNC(c1ccc(CCCC)cc1)c1csc(-c2ccccc2)n1.CCCCc1ccc(NC(c2ccc(CCCC)cc2)c2nc(-c3ccccc3)cn2C)cc1.CCCCc1ccc(NC(c2ccccc2)c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C31H37N3.C26H26N2S.C26H34N2S.C24H30N2S/c1-4-6-11-24-15-19-27(20-16-24)30(32-28-21-17-25(18-22-28)12-7-5-2)31-33-29(23-34(31)3)26-13-9-8-10-14-26;1-2-3-10-20-15-17-23(18-16-20)27-25(21-11-6-4-7-12-21)24-19-29-26(28-24)22-13-8-5-9-14-22;1-6-7-16-23(24-17-29-26(28-24)20-12-9-8-10-13-20)27-25-21(18(2)3)14-11-15-22(25)19(4)5;1-3-5-10-19-13-15-20(16-14-19)23(25-17-6-4-2)22-18-27-24(26-22)21-11-8-7-9-12-21/h8-10,13-23,30,32H,4-7,11-12H2,1-3H3;4-9,11-19,25,27H,2-3,10H2,1H3;8-15,17-19,23,27H,6-7,16H2,1-5H3;7-9,11-16,18,23,25H,3-6,10,17H2,1-2H3
InChIKeyGQOZOKJCDFJUAA-UHFFFAOYSA-N
XLogP30.36
TPSA104.61 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds38
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001635.46
LogP ≤ 530.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-butyl-N-[(4-butylphenyl)-(1-methyl-4-phenylimidazol-2-yl)methyl]aniline;4-butyl-N-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]aniline;N-[(4-butylphenyl)-(2-phenyl-1,3-thiazol-4-yl)methyl]butan-1-amine;N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]-2,6-di(propan-2-yl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[(4-butylphenyl)-(1-methyl-4-phenylimidazol-2-yl)methyl]aniline;4-butyl-N-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]aniline;N-[(4-butylphenyl)-(2-phenyl-1,3-thiazol-4-yl)methyl]butan-1-amine;N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]-2,6-di(propan-2-yl)aniline?
The IUPAC name of 4-butyl-N-[(4-butylphenyl)-(1-methyl-4-phenylimidazol-2-yl)methyl]aniline;4-butyl-N-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]aniline;N-[(4-butylphenyl)-(2-phenyl-1,3-thiazol-4-yl)methyl]butan-1-amine;N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]-2,6-di(propan-2-yl)aniline (CID 158336035) is 4-butyl-N-[(4-butylphenyl)-(1-methyl-4-phenylimidazol-2-yl)methyl]aniline;4-butyl-N-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]aniline;N-[(4-butylphenyl)-(2-phenyl-1,3-thiazol-4-yl)methyl]butan-1-amine;N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for 4-butyl-N-[(4-butylphenyl)-(1-methyl-4-phenylimidazol-2-yl)methyl]aniline;4-butyl-N-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]aniline;N-[(4-butylphenyl)-(2-phenyl-1,3-thiazol-4-yl)methyl]butan-1-amine;N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]-2,6-di(propan-2-yl)aniline?
The canonical SMILES for 4-butyl-N-[(4-butylphenyl)-(1-methyl-4-phenylimidazol-2-yl)methyl]aniline;4-butyl-N-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]aniline;N-[(4-butylphenyl)-(2-phenyl-1,3-thiazol-4-yl)methyl]butan-1-amine;N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]-2,6-di(propan-2-yl)aniline is CCCCC(Nc1c(C(C)C)cccc1C(C)C)c1csc(-c2ccccc2)n1.CCCCNC(c1ccc(CCCC)cc1)c1csc(-c2ccccc2)n1.CCCCc1ccc(NC(c2ccc(CCCC)cc2)c2nc(-c3ccccc3)cn2C)cc1.CCCCc1ccc(NC(c2ccccc2)c2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-butyl-N-[(4-butylphenyl)-(1-methyl-4-phenylimidazol-2-yl)methyl]aniline;4-butyl-N-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]aniline;N-[(4-butylphenyl)-(2-phenyl-1,3-thiazol-4-yl)methyl]butan-1-amine;N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]-2,6-di(propan-2-yl)aniline?
The InChIKey is GQOZOKJCDFJUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3.C26H26N2S.C26H34N2S.C24H30N2S/c1-4-6-11-24-15-19-27(20-16-24)30(32-28-21-17-25(18-22-28)12-7-5-2)31-33-29(23-34(31)3)26-13-9-8-10-14-26;1-2-3-10-20-15-17-23(18-16-20)27-25(21-11-6-4-7-12-21)24-19-29-26(28-24)22-13-8-5-9-14-22;1-6-7-16-23(24-17-29-26(28-24)20-12-9-8-10-13-20)27-25-21(18(2)3)14-11-15-22(25)19(4)5;1-3-5-10-19-13-15-20(16-14-19)23(25-17-6-4-2)22-18-27-24(26-22)21-11-8-7-9-12-21/h8-10,13-23,30,32H,4-7,11-12H2,1-3H3;4-9,11-19,25,27H,2-3,10H2,1H3;8-15,17-19,23,27H,6-7,16H2,1-5H3;7-9,11-16,18,23,25H,3-6,10,17H2,1-2H3.
What are the key properties of 4-butyl-N-[(4-butylphenyl)-(1-methyl-4-phenylimidazol-2-yl)methyl]aniline;4-butyl-N-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]aniline;N-[(4-butylphenyl)-(2-phenyl-1,3-thiazol-4-yl)methyl]butan-1-amine;N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]-2,6-di(propan-2-yl)aniline?
4-butyl-N-[(4-butylphenyl)-(1-methyl-4-phenylimidazol-2-yl)methyl]aniline;4-butyl-N-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]aniline;N-[(4-butylphenyl)-(2-phenyl-1,3-thiazol-4-yl)methyl]butan-1-amine;N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]-2,6-di(propan-2-yl)aniline has a molecular weight of 1635.46 g/mol, XLogP of 30.36, 38 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[(4-butylphenyl)-(1-methyl-4-phenylimidazol-2-yl)methyl]aniline;4-butyl-N-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]aniline;N-[(4-butylphenyl)-(2-phenyl-1,3-thiazol-4-yl)methyl]butan-1-amine;N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 158336035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).