8-(1H-benzimidazol-2-yl)-3-ethyl-2-methylquinoline

C19H17N3 — CID 141290230

IUPAC8-(1H-benzimidazol-2-yl)-3-ethyl-2-methylquinoline
SMILESCCc1cc2cccc(-c3nc4ccccc4[nH]3)c2nc1C
InChIInChI=1S/C19H17N3/c1-3-13-11-14-7-6-8-15(18(14)20-12(13)2)19-21-16-9-4-5-10-17(16)22-19/h4-11H,3H2,1-2H3,(H,21,22)
InChIKeyNZKVTOFHAJWCTH-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.65
Rot. Bonds2

About 8-(1H-benzimidazol-2-yl)-3-ethyl-2-methylquinoline

8-(1H-benzimidazol-2-yl)-3-ethyl-2-methylquinoline (PubChem CID 141290230) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is 8-(1H-benzimidazol-2-yl)-3-ethyl-2-methylquinoline.

Molecular Properties

Compound Name8-(1H-benzimidazol-2-yl)-3-ethyl-2-methylquinoline
PubChem CID141290230
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC Name8-(1H-benzimidazol-2-yl)-3-ethyl-2-methylquinoline
SMILESCCc1cc2cccc(-c3nc4ccccc4[nH]3)c2nc1C
InChIInChI=1S/C19H17N3/c1-3-13-11-14-7-6-8-15(18(14)20-12(13)2)19-21-16-9-4-5-10-17(16)22-19/h4-11H,3H2,1-2H3,(H,21,22)
InChIKeyNZKVTOFHAJWCTH-UHFFFAOYSA-N
XLogP4.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-benzimidazol-2-yl)-2-chloro-8-methylquinoline
CID 139075966
2-[2-(1H-benzimidazol-2-ylmethyl)phenyl]-1H-benzimidazole
CID 86342200
2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 17010591
5,6-dichloro-2-(2-ethylphenyl)-1H-benzimidazole
CID 82003787
4-(1H-benzimidazol-2-yl)-N,N-diethyl-3-methylaniline
CID 168554266
2-phenanthren-9-yl-1H-benzimidazole
CID 102492769
2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
CID 168554186
bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
CID 139068471
copper bis(2-(1H-benzimidazol-2-yl)phenolate)
CID 134105250
N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylpropanamide
CID 738998
2-(1-heptylnaphthalen-2-yl)-1H-benzimidazole
CID 175558327
2-(1,2-dimethyl-9H-fluoren-3-yl)-1H-benzimidazole
CID 151102364

Frequently Asked Questions

What is the IUPAC name of 8-(1H-benzimidazol-2-yl)-3-ethyl-2-methylquinoline?
The IUPAC name of 8-(1H-benzimidazol-2-yl)-3-ethyl-2-methylquinoline (CID 141290230) is 8-(1H-benzimidazol-2-yl)-3-ethyl-2-methylquinoline.
What is the SMILES notation for 8-(1H-benzimidazol-2-yl)-3-ethyl-2-methylquinoline?
The canonical SMILES for 8-(1H-benzimidazol-2-yl)-3-ethyl-2-methylquinoline is CCc1cc2cccc(-c3nc4ccccc4[nH]3)c2nc1C.
What is the InChIKey of 8-(1H-benzimidazol-2-yl)-3-ethyl-2-methylquinoline?
The InChIKey is NZKVTOFHAJWCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3/c1-3-13-11-14-7-6-8-15(18(14)20-12(13)2)19-21-16-9-4-5-10-17(16)22-19/h4-11H,3H2,1-2H3,(H,21,22).
What are the key properties of 8-(1H-benzimidazol-2-yl)-3-ethyl-2-methylquinoline?
8-(1H-benzimidazol-2-yl)-3-ethyl-2-methylquinoline has a molecular weight of 287.37 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-benzimidazol-2-yl)-3-ethyl-2-methylquinoline is sourced from PubChem (CID 141290230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).