6-(7-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline

C17H16ClN3 — CID 60784001

IUPAC6-(7-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESCn1c(-c2ccc3c(c2)CCCN3)nc2cccc(Cl)c21
InChIInChI=1S/C17H16ClN3/c1-21-16-13(18)5-2-6-15(16)20-17(21)12-7-8-14-11(10-12)4-3-9-19-14/h2,5-8,10,19H,3-4,9H2,1H3
InChIKeyNIUOIETWKBNJJE-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.25
Rot. Bonds1

About 6-(7-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline

6-(7-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 60784001) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 6-(7-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(7-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID60784001
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name6-(7-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESCn1c(-c2ccc3c(c2)CCCN3)nc2cccc(Cl)c21
InChIInChI=1S/C17H16ClN3/c1-21-16-13(18)5-2-6-15(16)20-17(21)12-7-8-14-11(10-12)4-3-9-19-14/h2,5-8,10,19H,3-4,9H2,1H3
InChIKeyNIUOIETWKBNJJE-UHFFFAOYSA-N
XLogP4.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(7-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(7-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline (CID 60784001) is 6-(7-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(7-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(7-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline is Cn1c(-c2ccc3c(c2)CCCN3)nc2cccc(Cl)c21.
What is the InChIKey of 6-(7-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is NIUOIETWKBNJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-21-16-13(18)5-2-6-15(16)20-17(21)12-7-8-14-11(10-12)4-3-9-19-14/h2,5-8,10,19H,3-4,9H2,1H3.
What are the key properties of 6-(7-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
6-(7-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 297.79 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 60784001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).