1-(2-benzylbenzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol

C29H23Cl2N3O — CID 2860506

IUPAC1-(2-benzylbenzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
SMILESOC(Cn1c(Cc2ccccc2)nc2ccccc21)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C29H23Cl2N3O/c30-20-10-12-26-23(15-20)24-16-21(31)11-13-27(24)33(26)17-22(35)18-34-28-9-5-4-8-25(28)32-29(34)14-19-6-2-1-3-7-19/h1-13,15-16,22,35H,14,17-18H2
InChIKeyVRWOKRYZENUZFL-UHFFFAOYSA-N
MW500.43 g/mol
LogP7.10
Rot. Bonds6

About 1-(2-benzylbenzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol

1-(2-benzylbenzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol (PubChem CID 2860506) has the molecular formula C29H23Cl2N3O and a molecular weight of 500.43 g/mol. Its IUPAC name is 1-(2-benzylbenzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-benzylbenzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
PubChem CID2860506
Molecular FormulaC29H23Cl2N3O
Molecular Weight500.43 g/mol
Exact Mass499.12
IUPAC Name1-(2-benzylbenzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
SMILESOC(Cn1c(Cc2ccccc2)nc2ccccc21)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C29H23Cl2N3O/c30-20-10-12-26-23(15-20)24-16-21(31)11-13-27(24)33(26)17-22(35)18-34-28-9-5-4-8-25(28)32-29(34)14-19-6-2-1-3-7-19/h1-13,15-16,22,35H,14,17-18H2
InChIKeyVRWOKRYZENUZFL-UHFFFAOYSA-N
XLogP7.10
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.43
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Carbazol-9-yl-3-(2-methyl-benzoimidazol-1-yl)-propan-2-ol
CID 2855383
1-(3,6-Dichlorocarbazol-9-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol
CID 2836155
1-(4-benzylpiperazin-1-yl)-3-(3,6-dichloro-9H-carbazol-9-yl)propan-2-ol
CID 2852080
1-Carbazol-9-yl-3-(2-methyl-imidazol-1-yl)-propan-2-ol
CID 2855699
1-[2-(Hydroxymethyl)-1-benzimidazolyl]-3-(1-indolyl)-2-propanol
CID 2967179
1-(1H-benzimidazol-1-yl)-3-(1H-indol-1-yl)propan-2-ol
CID 2968216
1-(3,6-Dichloro-carbazol-9-yl)-3-[4-(3-phenyl-allyl)-piperazin-1-yl]-propan-2-ol
CID 5719459
1-(3,6-Dichloro-carbazol-9-yl)-3-(4,5-diphenyl-imidazol-1-yl)-propan-2-ol
CID 3111137
1-(dibenzylamino)-3-(3,6-dichloro-9H-carbazol-9-yl)propan-2-ol
CID 3116819
1-[(1Z)-1-hydroxyimino-6-methyl-3,4-dihydro-2H-carbazol-9-yl]-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 6510975
1-{1-[(3-Chlorophenyl)methyl]-1H-1,3-benzodiazol-2-YL}propan-1-OL
CID 16014005
1-[2-(2-Chlorophenyl)benzimidazol-1-yl]-3-(diethylamino)propan-2-ol
CID 2859286

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylbenzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-(2-benzylbenzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol (CID 2860506) is 1-(2-benzylbenzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-(2-benzylbenzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-(2-benzylbenzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol is OC(Cn1c(Cc2ccccc2)nc2ccccc21)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 1-(2-benzylbenzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The InChIKey is VRWOKRYZENUZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23Cl2N3O/c30-20-10-12-26-23(15-20)24-16-21(31)11-13-27(24)33(26)17-22(35)18-34-28-9-5-4-8-25(28)32-29(34)14-19-6-2-1-3-7-19/h1-13,15-16,22,35H,14,17-18H2.
What are the key properties of 1-(2-benzylbenzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
1-(2-benzylbenzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol has a molecular weight of 500.43 g/mol, XLogP of 7.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylbenzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 2860506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).