4-(imidazol-1-ylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline

C14H17N3 — CID 18713054

IUPAC4-(imidazol-1-ylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2C(Cn2ccnc2)C1
InChIInChI=1S/C14H17N3/c1-16-8-12-4-2-3-5-14(12)13(9-16)10-17-7-6-15-11-17/h2-7,11,13H,8-10H2,1H3
InChIKeyJZLLGBUQPZLJFT-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.11
Rot. Bonds2

About 4-(imidazol-1-ylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline

4-(imidazol-1-ylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 18713054) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID18713054
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-(imidazol-1-ylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2C(Cn2ccnc2)C1
InChIInChI=1S/C14H17N3/c1-16-8-12-4-2-3-5-14(12)13(9-16)10-17-7-6-15-11-17/h2-7,11,13H,8-10H2,1H3
InChIKeyJZLLGBUQPZLJFT-UHFFFAOYSA-N
XLogP2.11
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-(imidazol-1-ylmethyl)-1-methyl-3,4-dihydro-2H-quinoline
CID 142002286
[2-(4-imidazol-1-ylbutyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545229
2-[4-(imidazol-1-ylmethyl)phenyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)benzamide
CID 167897933
trimethyl-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)silane
CID 13058280
2-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methyl]prop-1-en-1-amine
CID 142001895
(NE)-N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 6183753
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide
CID 95125863
4-(2-imidazol-1-ylethyl)-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine
CID 126813378
(3S)-2-benzyl-3-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 67667874
ethane;4-(imidazol-1-ylmethyl)-2-methyl-1H-isoquinoline
CID 90989031
7-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline
CID 68998146
7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]isoquinoline
CID 129385280

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(imidazol-1-ylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline (CID 18713054) is 4-(imidazol-1-ylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline is CN1Cc2ccccc2C(Cn2ccnc2)C1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is JZLLGBUQPZLJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-16-8-12-4-2-3-5-14(12)13(9-16)10-17-7-6-15-11-17/h2-7,11,13H,8-10H2,1H3.
What are the key properties of 4-(imidazol-1-ylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
4-(imidazol-1-ylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 227.31 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 18713054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).