1-[4-[4-(1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-2-methylbenzimidazole

C36H26N2O — CID 163508807

IUPAC1-[4-[4-(1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1-c1ccc(-c2ccc(-c3cc4c(oc5ccccc54)c4c3C=CCC4)cc2)cc1
InChIInChI=1S/C36H26N2O/c1-23-37-33-11-5-6-12-34(33)38(23)27-20-18-25(19-21-27)24-14-16-26(17-15-24)31-22-32-29-9-4-7-13-35(29)39-36(32)30-10-3-2-8-28(30)31/h2,4-9,11-22H,3,10H2,1H3
InChIKeyDAWZJOJJQJKPGP-UHFFFAOYSA-N
MW502.62 g/mol
LogP9.53
Rot. Bonds3

About 1-[4-[4-(1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-2-methylbenzimidazole

1-[4-[4-(1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-2-methylbenzimidazole (PubChem CID 163508807) has the molecular formula C36H26N2O and a molecular weight of 502.62 g/mol. Its IUPAC name is 1-[4-[4-(1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[4-[4-(1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-2-methylbenzimidazole
PubChem CID163508807
Molecular FormulaC36H26N2O
Molecular Weight502.62 g/mol
Exact Mass502.20
IUPAC Name1-[4-[4-(1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1-c1ccc(-c2ccc(-c3cc4c(oc5ccccc54)c4c3C=CCC4)cc2)cc1
InChIInChI=1S/C36H26N2O/c1-23-37-33-11-5-6-12-34(33)38(23)27-20-18-25(19-21-27)24-14-16-26(17-15-24)31-22-32-29-9-4-7-13-35(29)39-36(32)30-10-3-2-8-28(30)31/h2,4-9,11-22H,3,10H2,1H3
InChIKeyDAWZJOJJQJKPGP-UHFFFAOYSA-N
XLogP9.53
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.62
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-phenyl-6-[4-(10-phenyl-1,2-dihydroanthracen-9-yl)phenyl]benzimidazole
CID 129305926
1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-methylbenzimidazole
CID 170236795
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121591
2-methyl-1-[4-(10-naphtho[2,3-b][1]benzofuran-3-ylanthracen-9-yl)phenyl]benzimidazole
CID 134487962
1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-methylbenzimidazole;1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-(4-phenylphenyl)benzimidazole;1-[3-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]phenyl]-2-(4-phenylphenyl)benzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenyl]-2-(4-phenylphenyl)benzimidazole;methane
CID 158479689
2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 87412320
1-[4-(10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 147716479
1-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 58898414
2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 139519819
1-[4-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 139519792
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118149535
2-methyl-1-phenyl-6-[4-(10-phenyl-1,2,6,7-tetrahydroanthracen-9-yl)phenyl]benzimidazole
CID 155300096

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-2-methylbenzimidazole?
The IUPAC name of 1-[4-[4-(1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-2-methylbenzimidazole (CID 163508807) is 1-[4-[4-(1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-2-methylbenzimidazole.
What is the SMILES notation for 1-[4-[4-(1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-2-methylbenzimidazole?
The canonical SMILES for 1-[4-[4-(1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-2-methylbenzimidazole is Cc1nc2ccccc2n1-c1ccc(-c2ccc(-c3cc4c(oc5ccccc54)c4c3C=CCC4)cc2)cc1.
What is the InChIKey of 1-[4-[4-(1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-2-methylbenzimidazole?
The InChIKey is DAWZJOJJQJKPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2O/c1-23-37-33-11-5-6-12-34(33)38(23)27-20-18-25(19-21-27)24-14-16-26(17-15-24)31-22-32-29-9-4-7-13-35(29)39-36(32)30-10-3-2-8-28(30)31/h2,4-9,11-22H,3,10H2,1H3.
What are the key properties of 1-[4-[4-(1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-2-methylbenzimidazole?
1-[4-[4-(1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-2-methylbenzimidazole has a molecular weight of 502.62 g/mol, XLogP of 9.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-2-methylbenzimidazole is sourced from PubChem (CID 163508807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).