6-chloro-2-(2,3-dihydro-1H-indol-3-yl)-1-methylbenzimidazole

C16H14ClN3 — CID 115472337

IUPAC6-chloro-2-(2,3-dihydro-1H-indol-3-yl)-1-methylbenzimidazole
SMILESCn1c(C2CNc3ccccc32)nc2ccc(Cl)cc21
InChIInChI=1S/C16H14ClN3/c1-20-15-8-10(17)6-7-14(15)19-16(20)12-9-18-13-5-3-2-4-11(12)13/h2-8,12,18H,9H2,1H3
InChIKeyPBFPJTQYJIJZLU-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.78
Rot. Bonds1

About 6-chloro-2-(2,3-dihydro-1H-indol-3-yl)-1-methylbenzimidazole

6-chloro-2-(2,3-dihydro-1H-indol-3-yl)-1-methylbenzimidazole (PubChem CID 115472337) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 6-chloro-2-(2,3-dihydro-1H-indol-3-yl)-1-methylbenzimidazole.

Molecular Properties

Compound Name6-chloro-2-(2,3-dihydro-1H-indol-3-yl)-1-methylbenzimidazole
PubChem CID115472337
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name6-chloro-2-(2,3-dihydro-1H-indol-3-yl)-1-methylbenzimidazole
SMILESCn1c(C2CNc3ccccc32)nc2ccc(Cl)cc21
InChIInChI=1S/C16H14ClN3/c1-20-15-8-10(17)6-7-14(15)19-16(20)12-9-18-13-5-3-2-4-11(12)13/h2-8,12,18H,9H2,1H3
InChIKeyPBFPJTQYJIJZLU-UHFFFAOYSA-N
XLogP3.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,3-dihydro-1H-indol-3-yl)-1-methylbenzimidazole?
The IUPAC name of 6-chloro-2-(2,3-dihydro-1H-indol-3-yl)-1-methylbenzimidazole (CID 115472337) is 6-chloro-2-(2,3-dihydro-1H-indol-3-yl)-1-methylbenzimidazole.
What is the SMILES notation for 6-chloro-2-(2,3-dihydro-1H-indol-3-yl)-1-methylbenzimidazole?
The canonical SMILES for 6-chloro-2-(2,3-dihydro-1H-indol-3-yl)-1-methylbenzimidazole is Cn1c(C2CNc3ccccc32)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(2,3-dihydro-1H-indol-3-yl)-1-methylbenzimidazole?
The InChIKey is PBFPJTQYJIJZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-20-15-8-10(17)6-7-14(15)19-16(20)12-9-18-13-5-3-2-4-11(12)13/h2-8,12,18H,9H2,1H3.
What are the key properties of 6-chloro-2-(2,3-dihydro-1H-indol-3-yl)-1-methylbenzimidazole?
6-chloro-2-(2,3-dihydro-1H-indol-3-yl)-1-methylbenzimidazole has a molecular weight of 283.76 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2,3-dihydro-1H-indol-3-yl)-1-methylbenzimidazole is sourced from PubChem (CID 115472337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).