5-[(1-methylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline

C18H19N3 — CID 106780297

IUPAC5-[(1-methylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCn1c(Cc2cccc3c2CCCN3)nc2ccccc21
InChIInChI=1S/C18H19N3/c1-21-17-10-3-2-8-16(17)20-18(21)12-13-6-4-9-15-14(13)7-5-11-19-15/h2-4,6,8-10,19H,5,7,11-12H2,1H3
InChIKeyGYYQQSXRPMQERH-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.52
Rot. Bonds2

About 5-[(1-methylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline

5-[(1-methylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 106780297) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-[(1-methylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-[(1-methylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID106780297
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name5-[(1-methylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCn1c(Cc2cccc3c2CCCN3)nc2ccccc21
InChIInChI=1S/C18H19N3/c1-21-17-10-3-2-8-16(17)20-18(21)12-13-6-4-9-15-14(13)7-5-11-19-15/h2-4,6,8-10,19H,5,7,11-12H2,1H3
InChIKeyGYYQQSXRPMQERH-UHFFFAOYSA-N
XLogP3.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(1-methylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline
CID 106780063
5-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106780222
2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 14452296
5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106778070
2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107602854
1,2,3,4-tetrahydroquinolin-5-ylmethanamine;dihydrochloride
CID 43810457
3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 79753807
1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride
CID 171779762
2-(azepan-2-ylmethyl)-1-methylbenzimidazole
CID 79750642
2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]benzoic acid
CID 114560340
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-[(1-methylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline (CID 106780297) is 5-[(1-methylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-[(1-methylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-[(1-methylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline is Cn1c(Cc2cccc3c2CCCN3)nc2ccccc21.
What is the InChIKey of 5-[(1-methylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is GYYQQSXRPMQERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-21-17-10-3-2-8-16(17)20-18(21)12-13-6-4-9-15-14(13)7-5-11-19-15/h2-4,6,8-10,19H,5,7,11-12H2,1H3.
What are the key properties of 5-[(1-methylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline?
5-[(1-methylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 277.37 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106780297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).