6-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]quinoline

C18H19N3 — CID 116626693

IUPAC6-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]quinoline
SMILESCc1nc2c(n1Cc1ccc3ncccc3c1)CCCC2
InChIInChI=1S/C18H19N3/c1-13-20-17-6-2-3-7-18(17)21(13)12-14-8-9-16-15(11-14)5-4-10-19-16/h4-5,8-11H,2-3,6-7,12H2,1H3
InChIKeyGLDQNTOCYUZNHT-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.67
Rot. Bonds2

About 6-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]quinoline

6-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]quinoline (PubChem CID 116626693) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]quinoline.

Molecular Properties

Compound Name6-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]quinoline
PubChem CID116626693
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name6-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]quinoline
SMILESCc1nc2c(n1Cc1ccc3ncccc3c1)CCCC2
InChIInChI=1S/C18H19N3/c1-13-20-17-6-2-3-7-18(17)21(13)12-14-8-9-16-15(11-14)5-4-10-19-16/h4-5,8-11H,2-3,6-7,12H2,1H3
InChIKeyGLDQNTOCYUZNHT-UHFFFAOYSA-N
XLogP3.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-dimethylphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626608
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 103174131
6-(2-bromoethyl)quinoline
CID 68811984
6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline
CID 95829818
1-[(3-fluoro-5-nitrophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626557
1-[(2,3-difluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626506
2-methyl-1-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole
CID 113343350
6-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025620
6-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline
CID 64833438
6-(2-chloroethyl)quinoline
CID 53404433
ethane;ethylbenzene;6-ethylquinoline
CID 143817758
N-[[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581089

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]quinoline?
The IUPAC name of 6-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]quinoline (CID 116626693) is 6-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]quinoline.
What is the SMILES notation for 6-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]quinoline?
The canonical SMILES for 6-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]quinoline is Cc1nc2c(n1Cc1ccc3ncccc3c1)CCCC2.
What is the InChIKey of 6-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]quinoline?
The InChIKey is GLDQNTOCYUZNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-20-17-6-2-3-7-18(17)21(13)12-14-8-9-16-15(11-14)5-4-10-19-16/h4-5,8-11H,2-3,6-7,12H2,1H3.
What are the key properties of 6-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]quinoline?
6-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]quinoline has a molecular weight of 277.37 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]quinoline is sourced from PubChem (CID 116626693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).