2-ethyl-3-[3-(4-fluoranthen-3-ylphenyl)phenyl]-1,2-dihydrobenzimidazole

C37H28N2 — CID 130241934

IUPAC2-ethyl-3-[3-(4-fluoranthen-3-ylphenyl)phenyl]-1,2-dihydrobenzimidazole
SMILESCCC1Nc2ccccc2N1c1cccc(-c2ccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc2)c1
InChIInChI=1S/C37H28N2/c1-2-36-38-34-15-5-6-16-35(34)39(36)27-10-7-9-26(23-27)24-17-19-25(20-18-24)28-21-22-33-30-12-4-3-11-29(30)32-14-8-13-31(28)37(32)33/h3-23,36,38H,2H2,1H3
InChIKeyMGUPYFPCAKHAJV-UHFFFAOYSA-N
MW500.65 g/mol
LogP10.12
Rot. Bonds4

About 2-ethyl-3-[3-(4-fluoranthen-3-ylphenyl)phenyl]-1,2-dihydrobenzimidazole

2-ethyl-3-[3-(4-fluoranthen-3-ylphenyl)phenyl]-1,2-dihydrobenzimidazole (PubChem CID 130241934) has the molecular formula C37H28N2 and a molecular weight of 500.65 g/mol. Its IUPAC name is 2-ethyl-3-[3-(4-fluoranthen-3-ylphenyl)phenyl]-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Name2-ethyl-3-[3-(4-fluoranthen-3-ylphenyl)phenyl]-1,2-dihydrobenzimidazole
PubChem CID130241934
Molecular FormulaC37H28N2
Molecular Weight500.65 g/mol
Exact Mass500.23
IUPAC Name2-ethyl-3-[3-(4-fluoranthen-3-ylphenyl)phenyl]-1,2-dihydrobenzimidazole
SMILESCCC1Nc2ccccc2N1c1cccc(-c2ccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc2)c1
InChIInChI=1S/C37H28N2/c1-2-36-38-34-15-5-6-16-35(34)39(36)27-10-7-9-26(23-27)24-17-19-25(20-18-24)28-21-22-33-30-12-4-3-11-29(30)32-14-8-13-31(28)37(32)33/h3-23,36,38H,2H2,1H3
InChIKeyMGUPYFPCAKHAJV-UHFFFAOYSA-N
XLogP10.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.65
LogP ≤ 510.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-3-[3-(4-fluoranthen-3-ylphenyl)phenyl]-1,2-dihydrobenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(3-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-1,2-dihydrobenzimidazole
CID 130241480
2-ethyl-3-[5-[2-phenyl-10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]-1,2-dihydrobenzimidazole
CID 166043111
2-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole
CID 143828963
(2S)-1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one
CID 901938
1-(3-chlorophenyl)-2-ethyl-2,3-dihydroquinazolin-4-one
CID 3249189
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572
3,6-diphenyl-9-[9-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]dibenzofuran-4-yl]carbazole
CID 146337785
8-methyl-3-[4-(4-phenylphenyl)phenyl]fluoranthene
CID 58995610
2-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;10-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-7-phenylbenzo[c]carbazole;9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159571919
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019
13-(4-phenylnaphthalen-1-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),4,6,8,11(16),12,14,18,20,22,24-undecaene
CID 146789246
3-[9-[4-(3-fluoranthen-3-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71291349

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[3-(4-fluoranthen-3-ylphenyl)phenyl]-1,2-dihydrobenzimidazole?
The IUPAC name of 2-ethyl-3-[3-(4-fluoranthen-3-ylphenyl)phenyl]-1,2-dihydrobenzimidazole (CID 130241934) is 2-ethyl-3-[3-(4-fluoranthen-3-ylphenyl)phenyl]-1,2-dihydrobenzimidazole.
What is the SMILES notation for 2-ethyl-3-[3-(4-fluoranthen-3-ylphenyl)phenyl]-1,2-dihydrobenzimidazole?
The canonical SMILES for 2-ethyl-3-[3-(4-fluoranthen-3-ylphenyl)phenyl]-1,2-dihydrobenzimidazole is CCC1Nc2ccccc2N1c1cccc(-c2ccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc2)c1.
What is the InChIKey of 2-ethyl-3-[3-(4-fluoranthen-3-ylphenyl)phenyl]-1,2-dihydrobenzimidazole?
The InChIKey is MGUPYFPCAKHAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N2/c1-2-36-38-34-15-5-6-16-35(34)39(36)27-10-7-9-26(23-27)24-17-19-25(20-18-24)28-21-22-33-30-12-4-3-11-29(30)32-14-8-13-31(28)37(32)33/h3-23,36,38H,2H2,1H3.
What are the key properties of 2-ethyl-3-[3-(4-fluoranthen-3-ylphenyl)phenyl]-1,2-dihydrobenzimidazole?
2-ethyl-3-[3-(4-fluoranthen-3-ylphenyl)phenyl]-1,2-dihydrobenzimidazole has a molecular weight of 500.65 g/mol, XLogP of 10.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[3-(4-fluoranthen-3-ylphenyl)phenyl]-1,2-dihydrobenzimidazole is sourced from PubChem (CID 130241934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).