6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carbonitrile;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylic acid;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalen-2-ol;methane;1-[[4-(6-methoxynaphthalen-2-yl)phenyl]methyl]benzimidazole;methyl 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylate

C127H101N11O6 — CID 157160954

IUPAC6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carbonitrile;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylic acid;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalen-2-ol;methane;1-[[4-(6-methoxynaphthalen-2-yl)phenyl]methyl]benzimidazole;methyl 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylate
SMILESC.C.COC(=O)c1ccc2cc(-c3ccc(Cn4cnc5ccccc54)cc3)ccc2c1.COc1ccc2cc(-c3ccc(Cn4cnc5ccccc54)cc3)ccc2c1.N#Cc1ccc2cc(-c3ccc(Cn4cnc5ccccc54)cc3)ccc2c1.O=C(O)c1ccc2cc(-c3ccc(Cn4cnc5ccccc54)cc3)ccc2c1.Oc1ccc2cc(-c3ccc(Cn4cnc5ccccc54)cc3)ccc2c1
InChIInChI=1S/C26H20N2O2.C25H17N3.C25H18N2O2.C25H20N2O.C24H18N2O.2CH4/c1-30-26(29)23-13-12-21-14-20(10-11-22(21)15-23)19-8-6-18(7-9-19)16-28-17-27-24-4-2-3-5-25(24)28;26-15-19-7-10-23-14-22(12-11-21(23)13-19)20-8-5-18(6-9-20)16-28-17-27-24-3-1-2-4-25(24)28;28-25(29)22-12-11-20-13-19(9-10-21(20)14-22)18-7-5-17(6-8-18)15-27-16-26-23-3-1-2-4-24(23)27;1-28-23-13-12-21-14-20(10-11-22(21)15-23)19-8-6-18(7-9-19)16-27-17-26-24-4-2-3-5-25(24)27;27-22-12-11-20-13-19(9-10-21(20)14-22)18-7-5-17(6-8-18)15-26-16-25-23-3-1-2-4-24(23)26;;/h2-15,17H,16H2,1H3;1-14,17H,16H2;1-14,16H,15H2,(H,28,29);2-15,17H,16H2,1H3;1-14,16,27H,15H2;2*1H4
InChIKeyAMJGHKQEEHSBDH-UHFFFAOYSA-N
MW1877.28 g/mol
LogP29.87
Rot. Bonds18

About 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carbonitrile;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylic acid;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalen-2-ol;methane;1-[[4-(6-methoxynaphthalen-2-yl)phenyl]methyl]benzimidazole;methyl 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylate

6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carbonitrile;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylic acid;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalen-2-ol;methane;1-[[4-(6-methoxynaphthalen-2-yl)phenyl]methyl]benzimidazole;methyl 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylate (PubChem CID 157160954) has the molecular formula C127H101N11O6 and a molecular weight of 1877.28 g/mol. Its IUPAC name is 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carbonitrile;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylic acid;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalen-2-ol;methane;1-[[4-(6-methoxynaphthalen-2-yl)phenyl]methyl]benzimidazole;methyl 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylate.

Molecular Properties

Compound Name6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carbonitrile;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylic acid;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalen-2-ol;methane;1-[[4-(6-methoxynaphthalen-2-yl)phenyl]methyl]benzimidazole;methyl 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylate
PubChem CID157160954
Molecular FormulaC127H101N11O6
Molecular Weight1877.28 g/mol
Exact Mass1875.79
IUPAC Name6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carbonitrile;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylic acid;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalen-2-ol;methane;1-[[4-(6-methoxynaphthalen-2-yl)phenyl]methyl]benzimidazole;methyl 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylate
SMILESC.C.COC(=O)c1ccc2cc(-c3ccc(Cn4cnc5ccccc54)cc3)ccc2c1.COc1ccc2cc(-c3ccc(Cn4cnc5ccccc54)cc3)ccc2c1.N#Cc1ccc2cc(-c3ccc(Cn4cnc5ccccc54)cc3)ccc2c1.O=C(O)c1ccc2cc(-c3ccc(Cn4cnc5ccccc54)cc3)ccc2c1.Oc1ccc2cc(-c3ccc(Cn4cnc5ccccc54)cc3)ccc2c1
InChIInChI=1S/C26H20N2O2.C25H17N3.C25H18N2O2.C25H20N2O.C24H18N2O.2CH4/c1-30-26(29)23-13-12-21-14-20(10-11-22(21)15-23)19-8-6-18(7-9-19)16-28-17-27-24-4-2-3-5-25(24)28;26-15-19-7-10-23-14-22(12-11-21(23)13-19)20-8-5-18(6-9-20)16-28-17-27-24-3-1-2-4-25(24)28;28-25(29)22-12-11-20-13-19(9-10-21(20)14-22)18-7-5-17(6-8-18)15-27-16-26-23-3-1-2-4-24(23)27;1-28-23-13-12-21-14-20(10-11-22(21)15-23)19-8-6-18(7-9-19)16-27-17-26-24-4-2-3-5-25(24)27;27-22-12-11-20-13-19(9-10-21(20)14-22)18-7-5-17(6-8-18)15-26-16-25-23-3-1-2-4-24(23)26;;/h2-15,17H,16H2,1H3;1-14,17H,16H2;1-14,16H,15H2,(H,28,29);2-15,17H,16H2,1H3;1-14,16,27H,15H2;2*1H4
InChIKeyAMJGHKQEEHSBDH-UHFFFAOYSA-N
XLogP29.87
TPSA205.95 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001877.28
LogP ≤ 529.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carbonitrile;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylic acid;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalen-2-ol;methane;1-[[4-(6-methoxynaphthalen-2-yl)phenyl]methyl]benzimidazole;methyl 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carbonitrile;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylic acid;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalen-2-ol;methane;1-[[4-(6-methoxynaphthalen-2-yl)phenyl]methyl]benzimidazole;methyl 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylate?
The IUPAC name of 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carbonitrile;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylic acid;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalen-2-ol;methane;1-[[4-(6-methoxynaphthalen-2-yl)phenyl]methyl]benzimidazole;methyl 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylate (CID 157160954) is 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carbonitrile;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylic acid;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalen-2-ol;methane;1-[[4-(6-methoxynaphthalen-2-yl)phenyl]methyl]benzimidazole;methyl 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylate.
What is the SMILES notation for 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carbonitrile;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylic acid;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalen-2-ol;methane;1-[[4-(6-methoxynaphthalen-2-yl)phenyl]methyl]benzimidazole;methyl 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylate?
The canonical SMILES for 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carbonitrile;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylic acid;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalen-2-ol;methane;1-[[4-(6-methoxynaphthalen-2-yl)phenyl]methyl]benzimidazole;methyl 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylate is C.C.COC(=O)c1ccc2cc(-c3ccc(Cn4cnc5ccccc54)cc3)ccc2c1.COc1ccc2cc(-c3ccc(Cn4cnc5ccccc54)cc3)ccc2c1.N#Cc1ccc2cc(-c3ccc(Cn4cnc5ccccc54)cc3)ccc2c1.O=C(O)c1ccc2cc(-c3ccc(Cn4cnc5ccccc54)cc3)ccc2c1.Oc1ccc2cc(-c3ccc(Cn4cnc5ccccc54)cc3)ccc2c1.
What is the InChIKey of 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carbonitrile;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylic acid;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalen-2-ol;methane;1-[[4-(6-methoxynaphthalen-2-yl)phenyl]methyl]benzimidazole;methyl 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylate?
The InChIKey is AMJGHKQEEHSBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2.C25H17N3.C25H18N2O2.C25H20N2O.C24H18N2O.2CH4/c1-30-26(29)23-13-12-21-14-20(10-11-22(21)15-23)19-8-6-18(7-9-19)16-28-17-27-24-4-2-3-5-25(24)28;26-15-19-7-10-23-14-22(12-11-21(23)13-19)20-8-5-18(6-9-20)16-28-17-27-24-3-1-2-4-25(24)28;28-25(29)22-12-11-20-13-19(9-10-21(20)14-22)18-7-5-17(6-8-18)15-27-16-26-23-3-1-2-4-24(23)27;1-28-23-13-12-21-14-20(10-11-22(21)15-23)19-8-6-18(7-9-19)16-27-17-26-24-4-2-3-5-25(24)27;27-22-12-11-20-13-19(9-10-21(20)14-22)18-7-5-17(6-8-18)15-26-16-25-23-3-1-2-4-24(23)26;;/h2-15,17H,16H2,1H3;1-14,17H,16H2;1-14,16H,15H2,(H,28,29);2-15,17H,16H2,1H3;1-14,16,27H,15H2;2*1H4.
What are the key properties of 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carbonitrile;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylic acid;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalen-2-ol;methane;1-[[4-(6-methoxynaphthalen-2-yl)phenyl]methyl]benzimidazole;methyl 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylate?
6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carbonitrile;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylic acid;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalen-2-ol;methane;1-[[4-(6-methoxynaphthalen-2-yl)phenyl]methyl]benzimidazole;methyl 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylate has a molecular weight of 1877.28 g/mol, XLogP of 29.87, 18 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carbonitrile;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylic acid;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalen-2-ol;methane;1-[[4-(6-methoxynaphthalen-2-yl)phenyl]methyl]benzimidazole;methyl 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylate is sourced from PubChem (CID 157160954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).