2-[4-[2-[3-chloro-5-[2-[4-(1-methylbenzimidazol-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1-methylbenzimidazole

C38H33ClN4 — CID 165148188

IUPAC2-[4-[2-[3-chloro-5-[2-[4-(1-methylbenzimidazol-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1-methylbenzimidazole
SMILESCn1c(-c2ccc(CCc3cc(Cl)cc(CCc4ccc(-c5nc6ccccc6n5C)cc4)c3)cc2)nc2ccccc21
InChIInChI=1S/C38H33ClN4/c1-42-35-9-5-3-7-33(35)40-37(42)30-19-15-26(16-20-30)11-13-28-23-29(25-32(39)24-28)14-12-27-17-21-31(22-18-27)38-41-34-8-4-6-10-36(34)43(38)2/h3-10,15-25H,11-14H2,1-2H3
InChIKeyVMODHUNFAIHJSU-UHFFFAOYSA-N
MW581.16 g/mol
LogP9.02
Rot. Bonds8

About 2-[4-[2-[3-chloro-5-[2-[4-(1-methylbenzimidazol-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1-methylbenzimidazole

2-[4-[2-[3-chloro-5-[2-[4-(1-methylbenzimidazol-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1-methylbenzimidazole (PubChem CID 165148188) has the molecular formula C38H33ClN4 and a molecular weight of 581.16 g/mol. Its IUPAC name is 2-[4-[2-[3-chloro-5-[2-[4-(1-methylbenzimidazol-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[4-[2-[3-chloro-5-[2-[4-(1-methylbenzimidazol-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1-methylbenzimidazole
PubChem CID165148188
Molecular FormulaC38H33ClN4
Molecular Weight581.16 g/mol
Exact Mass580.24
IUPAC Name2-[4-[2-[3-chloro-5-[2-[4-(1-methylbenzimidazol-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1-methylbenzimidazole
SMILESCn1c(-c2ccc(CCc3cc(Cl)cc(CCc4ccc(-c5nc6ccccc6n5C)cc4)c3)cc2)nc2ccccc21
InChIInChI=1S/C38H33ClN4/c1-42-35-9-5-3-7-33(35)40-37(42)30-19-15-26(16-20-30)11-13-28-23-29(25-32(39)24-28)14-12-27-17-21-31(22-18-27)38-41-34-8-4-6-10-36(34)43(38)2/h3-10,15-25H,11-14H2,1-2H3
InChIKeyVMODHUNFAIHJSU-UHFFFAOYSA-N
XLogP9.02
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.16
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-[3-chloro-5-[2-[4-(1-methylbenzimidazol-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1-methylbenzimidazole with MolForge

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Related Compounds

2-(4-chlorophenyl)-1-methylbenzimidazole
CID 974595
2-(4-iodophenyl)-1-methylbenzimidazole
CID 23094064
2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole
CID 5095173
6-chloro-1-methyl-2-phenylbenzimidazole
CID 12738431
2-(4-benzo[a]anthracen-7-ylphenyl)-1-methylbenzimidazole
CID 88544840
1-methyl-2-[4-[5-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole
CID 118055725
2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-1-methylbenzimidazole
CID 135245155
1-[2-(3-tert-butylphenyl)ethyl]-2-(4-chlorophenyl)benzimidazole
CID 58673237
1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4-phenylphenyl]phenyl]benzimidazole
CID 175716577
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
2-amino-5-(1-methylbenzimidazol-2-yl)phenol
CID 60835038
1-methyl-2-(3-pyrrol-1-ylphenyl)benzimidazole
CID 141305843

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-chloro-5-[2-[4-(1-methylbenzimidazol-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1-methylbenzimidazole?
The IUPAC name of 2-[4-[2-[3-chloro-5-[2-[4-(1-methylbenzimidazol-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1-methylbenzimidazole (CID 165148188) is 2-[4-[2-[3-chloro-5-[2-[4-(1-methylbenzimidazol-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[4-[2-[3-chloro-5-[2-[4-(1-methylbenzimidazol-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[4-[2-[3-chloro-5-[2-[4-(1-methylbenzimidazol-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1-methylbenzimidazole is Cn1c(-c2ccc(CCc3cc(Cl)cc(CCc4ccc(-c5nc6ccccc6n5C)cc4)c3)cc2)nc2ccccc21.
What is the InChIKey of 2-[4-[2-[3-chloro-5-[2-[4-(1-methylbenzimidazol-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1-methylbenzimidazole?
The InChIKey is VMODHUNFAIHJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33ClN4/c1-42-35-9-5-3-7-33(35)40-37(42)30-19-15-26(16-20-30)11-13-28-23-29(25-32(39)24-28)14-12-27-17-21-31(22-18-27)38-41-34-8-4-6-10-36(34)43(38)2/h3-10,15-25H,11-14H2,1-2H3.
What are the key properties of 2-[4-[2-[3-chloro-5-[2-[4-(1-methylbenzimidazol-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1-methylbenzimidazole?
2-[4-[2-[3-chloro-5-[2-[4-(1-methylbenzimidazol-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1-methylbenzimidazole has a molecular weight of 581.16 g/mol, XLogP of 9.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3-chloro-5-[2-[4-(1-methylbenzimidazol-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1-methylbenzimidazole is sourced from PubChem (CID 165148188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).