1-benzyl-2-phenylimidazole;2-heptadecyl-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole

C73H102N12 — CID 175299217

IUPAC1-benzyl-2-phenylimidazole;2-heptadecyl-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole
SMILESCCCCCCCCCCCCCCCCCc1ncc[nH]1.CCCCCCCCCCCc1ncc[nH]1.Cc1cnc(-c2ccccc2)[nH]1.Cc1ncc[nH]1.c1ccc(-c2ncc[nH]2)cc1.c1ccc(Cn2ccnc2-c2ccccc2)cc1
InChIInChI=1S/C20H38N2.C16H14N2.C14H26N2.C10H10N2.C9H8N2.C4H6N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20;1-3-7-14(8-4-1)13-18-12-11-17-16(18)15-9-5-2-6-10-15;1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14;1-8-7-11-10(12-8)9-5-3-2-4-6-9;1-2-4-8(5-3-1)9-10-6-7-11-9;1-4-5-2-3-6-4/h18-19H,2-17H2,1H3,(H,21,22);1-12H,13H2;12-13H,2-11H2,1H3,(H,15,16);2-7H,1H3,(H,11,12);1-7H,(H,10,11);2-3H,1H3,(H,5,6)
InChIKeyCGTVQIHLESIULN-UHFFFAOYSA-N
MW1147.70 g/mol
LogP20.08
Rot. Bonds31

About 1-benzyl-2-phenylimidazole;2-heptadecyl-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole

1-benzyl-2-phenylimidazole;2-heptadecyl-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole (PubChem CID 175299217) has the molecular formula C73H102N12 and a molecular weight of 1147.70 g/mol. Its IUPAC name is 1-benzyl-2-phenylimidazole;2-heptadecyl-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole.

Molecular Properties

Compound Name1-benzyl-2-phenylimidazole;2-heptadecyl-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole
PubChem CID175299217
Molecular FormulaC73H102N12
Molecular Weight1147.70 g/mol
Exact Mass1146.84
IUPAC Name1-benzyl-2-phenylimidazole;2-heptadecyl-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole
SMILESCCCCCCCCCCCCCCCCCc1ncc[nH]1.CCCCCCCCCCCc1ncc[nH]1.Cc1cnc(-c2ccccc2)[nH]1.Cc1ncc[nH]1.c1ccc(-c2ncc[nH]2)cc1.c1ccc(Cn2ccnc2-c2ccccc2)cc1
InChIInChI=1S/C20H38N2.C16H14N2.C14H26N2.C10H10N2.C9H8N2.C4H6N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20;1-3-7-14(8-4-1)13-18-12-11-17-16(18)15-9-5-2-6-10-15;1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14;1-8-7-11-10(12-8)9-5-3-2-4-6-9;1-2-4-8(5-3-1)9-10-6-7-11-9;1-4-5-2-3-6-4/h18-19H,2-17H2,1H3,(H,21,22);1-12H,13H2;12-13H,2-11H2,1H3,(H,15,16);2-7H,1H3,(H,11,12);1-7H,(H,10,11);2-3H,1H3,(H,5,6)
InChIKeyCGTVQIHLESIULN-UHFFFAOYSA-N
XLogP20.08
TPSA161.22 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds31
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001147.70
LogP ≤ 520.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-phenylimidazole;2-heptadecyl-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole?
The IUPAC name of 1-benzyl-2-phenylimidazole;2-heptadecyl-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole (CID 175299217) is 1-benzyl-2-phenylimidazole;2-heptadecyl-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole.
What is the SMILES notation for 1-benzyl-2-phenylimidazole;2-heptadecyl-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole?
The canonical SMILES for 1-benzyl-2-phenylimidazole;2-heptadecyl-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole is CCCCCCCCCCCCCCCCCc1ncc[nH]1.CCCCCCCCCCCc1ncc[nH]1.Cc1cnc(-c2ccccc2)[nH]1.Cc1ncc[nH]1.c1ccc(-c2ncc[nH]2)cc1.c1ccc(Cn2ccnc2-c2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2-phenylimidazole;2-heptadecyl-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole?
The InChIKey is CGTVQIHLESIULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2.C16H14N2.C14H26N2.C10H10N2.C9H8N2.C4H6N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20;1-3-7-14(8-4-1)13-18-12-11-17-16(18)15-9-5-2-6-10-15;1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14;1-8-7-11-10(12-8)9-5-3-2-4-6-9;1-2-4-8(5-3-1)9-10-6-7-11-9;1-4-5-2-3-6-4/h18-19H,2-17H2,1H3,(H,21,22);1-12H,13H2;12-13H,2-11H2,1H3,(H,15,16);2-7H,1H3,(H,11,12);1-7H,(H,10,11);2-3H,1H3,(H,5,6).
What are the key properties of 1-benzyl-2-phenylimidazole;2-heptadecyl-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole?
1-benzyl-2-phenylimidazole;2-heptadecyl-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole has a molecular weight of 1147.70 g/mol, XLogP of 20.08, 31 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-phenylimidazole;2-heptadecyl-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-1H-imidazole;2-phenyl-1H-imidazole;2-undecyl-1H-imidazole is sourced from PubChem (CID 175299217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).