9-(1-propan-2-ylbenzimidazol-4-yl)-1,2-dihydrocarbazole

C22H21N3 — CID 155748511

IUPAC9-(1-propan-2-ylbenzimidazol-4-yl)-1,2-dihydrocarbazole
SMILESCC(C)n1cnc2c(-n3c4c(c5ccccc53)C=CCC4)cccc21
InChIInChI=1S/C22H21N3/c1-15(2)24-14-23-22-20(24)12-7-13-21(22)25-18-10-5-3-8-16(18)17-9-4-6-11-19(17)25/h3-5,7-10,12-15H,6,11H2,1-2H3
InChIKeyWYEPXROEXVATQR-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.52
Rot. Bonds2

About 9-(1-propan-2-ylbenzimidazol-4-yl)-1,2-dihydrocarbazole

9-(1-propan-2-ylbenzimidazol-4-yl)-1,2-dihydrocarbazole (PubChem CID 155748511) has the molecular formula C22H21N3 and a molecular weight of 327.43 g/mol. Its IUPAC name is 9-(1-propan-2-ylbenzimidazol-4-yl)-1,2-dihydrocarbazole.

Molecular Properties

Compound Name9-(1-propan-2-ylbenzimidazol-4-yl)-1,2-dihydrocarbazole
PubChem CID155748511
Molecular FormulaC22H21N3
Molecular Weight327.43 g/mol
Exact Mass327.17
IUPAC Name9-(1-propan-2-ylbenzimidazol-4-yl)-1,2-dihydrocarbazole
SMILESCC(C)n1cnc2c(-n3c4c(c5ccccc53)C=CCC4)cccc21
InChIInChI=1S/C22H21N3/c1-15(2)24-14-23-22-20(24)12-7-13-21(22)25-18-10-5-3-8-16(18)17-9-4-6-11-19(17)25/h3-5,7-10,12-15H,6,11H2,1-2H3
InChIKeyWYEPXROEXVATQR-UHFFFAOYSA-N
XLogP5.52
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[6-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-4-yl]carbazole
CID 134388922
9-dibenzothiophen-2-yl-4-(1,2-dihydrocarbazol-9-yl)carbazole
CID 137468008
[4-(1,2-dihydrocarbazol-9-yl)phenyl]boronic acid
CID 154692123
3-[7-[2-(1,2-dihydrocarbazol-9-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129075934
[3,5-bis(1,2-dihydrocarbazol-9-yl)phenyl]methanol
CID 70991147
9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole
CID 129215312
9-[2-[4-[2-(1,2-dihydrocarbazol-9-yl)-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-(2-methylphenyl)phenyl]carbazole
CID 166777780
9-[3-(benzotriazol-1-yl)-2,5-dimethylphenyl]-1,2-dihydrocarbazole
CID 134304070
9-(4-prop-1-en-2-ylphenyl)-1,2-dihydrocarbazole
CID 145237248
9-[6-(1,2-dihydrocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbaldehyde
CID 89166054
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650
9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997

Frequently Asked Questions

What is the IUPAC name of 9-(1-propan-2-ylbenzimidazol-4-yl)-1,2-dihydrocarbazole?
The IUPAC name of 9-(1-propan-2-ylbenzimidazol-4-yl)-1,2-dihydrocarbazole (CID 155748511) is 9-(1-propan-2-ylbenzimidazol-4-yl)-1,2-dihydrocarbazole.
What is the SMILES notation for 9-(1-propan-2-ylbenzimidazol-4-yl)-1,2-dihydrocarbazole?
The canonical SMILES for 9-(1-propan-2-ylbenzimidazol-4-yl)-1,2-dihydrocarbazole is CC(C)n1cnc2c(-n3c4c(c5ccccc53)C=CCC4)cccc21.
What is the InChIKey of 9-(1-propan-2-ylbenzimidazol-4-yl)-1,2-dihydrocarbazole?
The InChIKey is WYEPXROEXVATQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3/c1-15(2)24-14-23-22-20(24)12-7-13-21(22)25-18-10-5-3-8-16(18)17-9-4-6-11-19(17)25/h3-5,7-10,12-15H,6,11H2,1-2H3.
What are the key properties of 9-(1-propan-2-ylbenzimidazol-4-yl)-1,2-dihydrocarbazole?
9-(1-propan-2-ylbenzimidazol-4-yl)-1,2-dihydrocarbazole has a molecular weight of 327.43 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-propan-2-ylbenzimidazol-4-yl)-1,2-dihydrocarbazole is sourced from PubChem (CID 155748511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).