5-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1-methylbenzimidazole

C17H16ClN3 — CID 80572125

IUPAC5-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1-methylbenzimidazole
SMILESCn1c(CC2CNc3ccccc32)nc2cc(Cl)ccc21
InChIInChI=1S/C17H16ClN3/c1-21-16-7-6-12(18)9-15(16)20-17(21)8-11-10-19-14-5-3-2-4-13(11)14/h2-7,9,11,19H,8,10H2,1H3
InChIKeyRNXYFSOYOUPGMG-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.98
Rot. Bonds2

About 5-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1-methylbenzimidazole

5-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1-methylbenzimidazole (PubChem CID 80572125) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1-methylbenzimidazole.

Molecular Properties

Compound Name5-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1-methylbenzimidazole
PubChem CID80572125
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name5-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1-methylbenzimidazole
SMILESCn1c(CC2CNc3ccccc32)nc2cc(Cl)ccc21
InChIInChI=1S/C17H16ClN3/c1-21-16-7-6-12(18)9-15(16)20-17(21)8-11-10-19-14-5-3-2-4-13(11)14/h2-7,9,11,19H,8,10H2,1H3
InChIKeyRNXYFSOYOUPGMG-UHFFFAOYSA-N
XLogP3.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1-methylbenzimidazole?
The IUPAC name of 5-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1-methylbenzimidazole (CID 80572125) is 5-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1-methylbenzimidazole.
What is the SMILES notation for 5-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1-methylbenzimidazole?
The canonical SMILES for 5-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1-methylbenzimidazole is Cn1c(CC2CNc3ccccc32)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1-methylbenzimidazole?
The InChIKey is RNXYFSOYOUPGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-21-16-7-6-12(18)9-15(16)20-17(21)8-11-10-19-14-5-3-2-4-13(11)14/h2-7,9,11,19H,8,10H2,1H3.
What are the key properties of 5-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1-methylbenzimidazole?
5-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1-methylbenzimidazole has a molecular weight of 297.79 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1-methylbenzimidazole is sourced from PubChem (CID 80572125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).