1-methyl-2-[4-[5-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole

C38H28N4 — CID 118055725

IUPAC1-methyl-2-[4-[5-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole
SMILESCn1c(-c2ccc(-c3ccc4c(-c5ccc(-c6nc7ccccc7n6C)cc5)cccc4c3)cc2)nc2ccccc21
InChIInChI=1S/C38H28N4/c1-41-35-12-5-3-10-33(35)39-37(41)27-18-14-25(15-19-27)29-22-23-32-30(24-29)8-7-9-31(32)26-16-20-28(21-17-26)38-40-34-11-4-6-13-36(34)42(38)2/h3-24H,1-2H3
InChIKeyCDIKZUAJVJARKS-UHFFFAOYSA-N
MW540.67 g/mol
LogP9.28
Rot. Bonds4

About 1-methyl-2-[4-[5-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole

1-methyl-2-[4-[5-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole (PubChem CID 118055725) has the molecular formula C38H28N4 and a molecular weight of 540.67 g/mol. Its IUPAC name is 1-methyl-2-[4-[5-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[4-[5-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole
PubChem CID118055725
Molecular FormulaC38H28N4
Molecular Weight540.67 g/mol
Exact Mass540.23
IUPAC Name1-methyl-2-[4-[5-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole
SMILESCn1c(-c2ccc(-c3ccc4c(-c5ccc(-c6nc7ccccc7n6C)cc5)cccc4c3)cc2)nc2ccccc21
InChIInChI=1S/C38H28N4/c1-41-35-12-5-3-10-33(35)39-37(41)27-18-14-25(15-19-27)29-22-23-32-30(24-29)8-7-9-31(32)26-16-20-28(21-17-26)38-40-34-11-4-6-13-36(34)42(38)2/h3-24H,1-2H3
InChIKeyCDIKZUAJVJARKS-UHFFFAOYSA-N
XLogP9.28
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.67
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylphenyl)benzimidazole
CID 137492695
1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4-phenylphenyl]phenyl]benzimidazole
CID 175716577
2-(4-benzo[a]anthracen-7-ylphenyl)-1-methylbenzimidazole
CID 88544840
1-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole
CID 121258021
2-(4-chlorophenyl)-1-methylbenzimidazole
CID 974595
2-(4-iodophenyl)-1-methylbenzimidazole
CID 23094064
2-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-1-methylbenzimidazole
CID 167412523
1-methyl-2-[4-[5-(1-methylbenzimidazol-2-yl)naphthalen-1-yl]phenyl]benzimidazole;1-methyl-2-[4-[4-[5-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]benzimidazole;1-methyl-2-[4-[5-[4-(1-methylbenzimidazol-2-yl)-2-phenylphenyl]naphthalen-1-yl]-3-phenylphenyl]benzimidazole;1-methyl-2-[5-[5-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]naphthalen-1-yl]-2-pyridinyl]benzimidazole
CID 157117676
3,24-dimethyl-6-naphthalen-2-yl-21-(4-naphthalen-1-ylphenyl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59182128
1-methyl-2-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)benzimidazole
CID 137493437
1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole
CID 58106321
1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4,5-diphenylphenyl]phenyl]benzimidazole
CID 175716634

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[4-[5-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole?
The IUPAC name of 1-methyl-2-[4-[5-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole (CID 118055725) is 1-methyl-2-[4-[5-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[4-[5-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[4-[5-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole is Cn1c(-c2ccc(-c3ccc4c(-c5ccc(-c6nc7ccccc7n6C)cc5)cccc4c3)cc2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-[4-[5-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole?
The InChIKey is CDIKZUAJVJARKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N4/c1-41-35-12-5-3-10-33(35)39-37(41)27-18-14-25(15-19-27)29-22-23-32-30(24-29)8-7-9-31(32)26-16-20-28(21-17-26)38-40-34-11-4-6-13-36(34)42(38)2/h3-24H,1-2H3.
What are the key properties of 1-methyl-2-[4-[5-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole?
1-methyl-2-[4-[5-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole has a molecular weight of 540.67 g/mol, XLogP of 9.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[4-[5-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole is sourced from PubChem (CID 118055725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).