2-(4-bromophenyl)-6-methyl-1H-benzimidazole;N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline;2-(4-ethylphenyl)-6-methyl-1H-benzimidazole;2-(4-iodophenyl)-6-methyl-1H-benzimidazole;2-(4-methoxyphenyl)-6-methyl-1H-benzimidazole;6-methyl-2-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole

C93H88BrIN14O — CID 165010797

IUPAC2-(4-bromophenyl)-6-methyl-1H-benzimidazole;N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline;2-(4-ethylphenyl)-6-methyl-1H-benzimidazole;2-(4-iodophenyl)-6-methyl-1H-benzimidazole;2-(4-methoxyphenyl)-6-methyl-1H-benzimidazole;6-methyl-2-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole
SMILESCCc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1.COc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1.Cc1ccc2nc(-c3ccc(Br)cc3)[nH]c2c1.Cc1ccc2nc(-c3ccc(I)cc3)[nH]c2c1.Cc1ccc2nc(-c3ccc(N(C)C)cc3)[nH]c2c1.Cc1ccc2nc(-c3ccc(N4CCCC4)cc3)[nH]c2c1
InChIInChI=1S/C18H19N3.C16H17N3.C16H16N2.C15H14N2O.C14H11BrN2.C14H11IN2/c1-13-4-9-16-17(12-13)20-18(19-16)14-5-7-15(8-6-14)21-10-2-3-11-21;1-11-4-9-14-15(10-11)18-16(17-14)12-5-7-13(8-6-12)19(2)3;1-3-12-5-7-13(8-6-12)16-17-14-9-4-11(2)10-15(14)18-16;1-10-3-8-13-14(9-10)17-15(16-13)11-4-6-12(18-2)7-5-11;2*1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10/h4-9,12H,2-3,10-11H2,1H3,(H,19,20);4-10H,1-3H3,(H,17,18);4-10H,3H2,1-2H3,(H,17,18);3-9H,1-2H3,(H,16,17);2*2-8H,1H3,(H,16,17)
InChIKeyJRBRWMMAOTUBSD-UHFFFAOYSA-N
MW1624.63 g/mol
LogP23.83
Rot. Bonds10

About 2-(4-bromophenyl)-6-methyl-1H-benzimidazole;N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline;2-(4-ethylphenyl)-6-methyl-1H-benzimidazole;2-(4-iodophenyl)-6-methyl-1H-benzimidazole;2-(4-methoxyphenyl)-6-methyl-1H-benzimidazole;6-methyl-2-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole

2-(4-bromophenyl)-6-methyl-1H-benzimidazole;N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline;2-(4-ethylphenyl)-6-methyl-1H-benzimidazole;2-(4-iodophenyl)-6-methyl-1H-benzimidazole;2-(4-methoxyphenyl)-6-methyl-1H-benzimidazole;6-methyl-2-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole (PubChem CID 165010797) has the molecular formula C93H88BrIN14O and a molecular weight of 1624.63 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-methyl-1H-benzimidazole;N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline;2-(4-ethylphenyl)-6-methyl-1H-benzimidazole;2-(4-iodophenyl)-6-methyl-1H-benzimidazole;2-(4-methoxyphenyl)-6-methyl-1H-benzimidazole;6-methyl-2-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-methyl-1H-benzimidazole;N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline;2-(4-ethylphenyl)-6-methyl-1H-benzimidazole;2-(4-iodophenyl)-6-methyl-1H-benzimidazole;2-(4-methoxyphenyl)-6-methyl-1H-benzimidazole;6-methyl-2-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole
PubChem CID165010797
Molecular FormulaC93H88BrIN14O
Molecular Weight1624.63 g/mol
Exact Mass1622.55
IUPAC Name2-(4-bromophenyl)-6-methyl-1H-benzimidazole;N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline;2-(4-ethylphenyl)-6-methyl-1H-benzimidazole;2-(4-iodophenyl)-6-methyl-1H-benzimidazole;2-(4-methoxyphenyl)-6-methyl-1H-benzimidazole;6-methyl-2-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole
SMILESCCc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1.COc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1.Cc1ccc2nc(-c3ccc(Br)cc3)[nH]c2c1.Cc1ccc2nc(-c3ccc(I)cc3)[nH]c2c1.Cc1ccc2nc(-c3ccc(N(C)C)cc3)[nH]c2c1.Cc1ccc2nc(-c3ccc(N4CCCC4)cc3)[nH]c2c1
InChIInChI=1S/C18H19N3.C16H17N3.C16H16N2.C15H14N2O.C14H11BrN2.C14H11IN2/c1-13-4-9-16-17(12-13)20-18(19-16)14-5-7-15(8-6-14)21-10-2-3-11-21;1-11-4-9-14-15(10-11)18-16(17-14)12-5-7-13(8-6-12)19(2)3;1-3-12-5-7-13(8-6-12)16-17-14-9-4-11(2)10-15(14)18-16;1-10-3-8-13-14(9-10)17-15(16-13)11-4-6-12(18-2)7-5-11;2*1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10/h4-9,12H,2-3,10-11H2,1H3,(H,19,20);4-10H,1-3H3,(H,17,18);4-10H,3H2,1-2H3,(H,17,18);3-9H,1-2H3,(H,16,17);2*2-8H,1H3,(H,16,17)
InChIKeyJRBRWMMAOTUBSD-UHFFFAOYSA-N
XLogP23.83
TPSA187.79 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001624.63
LogP ≤ 523.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(4-bromophenyl)-6-methyl-1H-benzimidazole;N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline;2-(4-ethylphenyl)-6-methyl-1H-benzimidazole;2-(4-iodophenyl)-6-methyl-1H-benzimidazole;2-(4-methoxyphenyl)-6-methyl-1H-benzimidazole;6-methyl-2-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-methyl-1H-benzimidazole;N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline;2-(4-ethylphenyl)-6-methyl-1H-benzimidazole;2-(4-iodophenyl)-6-methyl-1H-benzimidazole;2-(4-methoxyphenyl)-6-methyl-1H-benzimidazole;6-methyl-2-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole?
The IUPAC name of 2-(4-bromophenyl)-6-methyl-1H-benzimidazole;N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline;2-(4-ethylphenyl)-6-methyl-1H-benzimidazole;2-(4-iodophenyl)-6-methyl-1H-benzimidazole;2-(4-methoxyphenyl)-6-methyl-1H-benzimidazole;6-methyl-2-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole (CID 165010797) is 2-(4-bromophenyl)-6-methyl-1H-benzimidazole;N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline;2-(4-ethylphenyl)-6-methyl-1H-benzimidazole;2-(4-iodophenyl)-6-methyl-1H-benzimidazole;2-(4-methoxyphenyl)-6-methyl-1H-benzimidazole;6-methyl-2-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(4-bromophenyl)-6-methyl-1H-benzimidazole;N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline;2-(4-ethylphenyl)-6-methyl-1H-benzimidazole;2-(4-iodophenyl)-6-methyl-1H-benzimidazole;2-(4-methoxyphenyl)-6-methyl-1H-benzimidazole;6-methyl-2-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(4-bromophenyl)-6-methyl-1H-benzimidazole;N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline;2-(4-ethylphenyl)-6-methyl-1H-benzimidazole;2-(4-iodophenyl)-6-methyl-1H-benzimidazole;2-(4-methoxyphenyl)-6-methyl-1H-benzimidazole;6-methyl-2-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole is CCc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1.COc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1.Cc1ccc2nc(-c3ccc(Br)cc3)[nH]c2c1.Cc1ccc2nc(-c3ccc(I)cc3)[nH]c2c1.Cc1ccc2nc(-c3ccc(N(C)C)cc3)[nH]c2c1.Cc1ccc2nc(-c3ccc(N4CCCC4)cc3)[nH]c2c1.
What is the InChIKey of 2-(4-bromophenyl)-6-methyl-1H-benzimidazole;N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline;2-(4-ethylphenyl)-6-methyl-1H-benzimidazole;2-(4-iodophenyl)-6-methyl-1H-benzimidazole;2-(4-methoxyphenyl)-6-methyl-1H-benzimidazole;6-methyl-2-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole?
The InChIKey is JRBRWMMAOTUBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3.C16H17N3.C16H16N2.C15H14N2O.C14H11BrN2.C14H11IN2/c1-13-4-9-16-17(12-13)20-18(19-16)14-5-7-15(8-6-14)21-10-2-3-11-21;1-11-4-9-14-15(10-11)18-16(17-14)12-5-7-13(8-6-12)19(2)3;1-3-12-5-7-13(8-6-12)16-17-14-9-4-11(2)10-15(14)18-16;1-10-3-8-13-14(9-10)17-15(16-13)11-4-6-12(18-2)7-5-11;2*1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10/h4-9,12H,2-3,10-11H2,1H3,(H,19,20);4-10H,1-3H3,(H,17,18);4-10H,3H2,1-2H3,(H,17,18);3-9H,1-2H3,(H,16,17);2*2-8H,1H3,(H,16,17).
What are the key properties of 2-(4-bromophenyl)-6-methyl-1H-benzimidazole;N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline;2-(4-ethylphenyl)-6-methyl-1H-benzimidazole;2-(4-iodophenyl)-6-methyl-1H-benzimidazole;2-(4-methoxyphenyl)-6-methyl-1H-benzimidazole;6-methyl-2-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole?
2-(4-bromophenyl)-6-methyl-1H-benzimidazole;N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline;2-(4-ethylphenyl)-6-methyl-1H-benzimidazole;2-(4-iodophenyl)-6-methyl-1H-benzimidazole;2-(4-methoxyphenyl)-6-methyl-1H-benzimidazole;6-methyl-2-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole has a molecular weight of 1624.63 g/mol, XLogP of 23.83, 10 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-methyl-1H-benzimidazole;N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline;2-(4-ethylphenyl)-6-methyl-1H-benzimidazole;2-(4-iodophenyl)-6-methyl-1H-benzimidazole;2-(4-methoxyphenyl)-6-methyl-1H-benzimidazole;6-methyl-2-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole is sourced from PubChem (CID 165010797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).