2-[(2-methoxynaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2-methylnaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole

C44H46N6O — CID 158505216

IUPAC2-[(2-methoxynaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2-methylnaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole
SMILESCOc1ccc2ccccc2c1CC1=NCCN1.Cc1ccc2ccccc2c1CC1=NCCN1.c1ccc2cc(CC3=NCCN3)ccc2c1
InChIInChI=1S/C15H16N2O.C15H16N2.C14H14N2/c1-18-14-7-6-11-4-2-3-5-12(11)13(14)10-15-16-8-9-17-15;1-11-6-7-12-4-2-3-5-13(12)14(11)10-15-16-8-9-17-15;1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14/h2-7H,8-10H2,1H3,(H,16,17);2-7H,8-10H2,1H3,(H,16,17);1-6,9H,7-8,10H2,(H,15,16)
InChIKeyHKJPGGJNQBUPER-UHFFFAOYSA-N
MW674.89 g/mol
LogP7.47
Rot. Bonds7

About 2-[(2-methoxynaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2-methylnaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole

2-[(2-methoxynaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2-methylnaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole (PubChem CID 158505216) has the molecular formula C44H46N6O and a molecular weight of 674.89 g/mol. Its IUPAC name is 2-[(2-methoxynaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2-methylnaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(2-methoxynaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2-methylnaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole
PubChem CID158505216
Molecular FormulaC44H46N6O
Molecular Weight674.89 g/mol
Exact Mass674.37
IUPAC Name2-[(2-methoxynaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2-methylnaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole
SMILESCOc1ccc2ccccc2c1CC1=NCCN1.Cc1ccc2ccccc2c1CC1=NCCN1.c1ccc2cc(CC3=NCCN3)ccc2c1
InChIInChI=1S/C15H16N2O.C15H16N2.C14H14N2/c1-18-14-7-6-11-4-2-3-5-12(11)13(14)10-15-16-8-9-17-15;1-11-6-7-12-4-2-3-5-13(12)14(11)10-15-16-8-9-17-15;1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14/h2-7H,8-10H2,1H3,(H,16,17);2-7H,8-10H2,1H3,(H,16,17);1-6,9H,7-8,10H2,(H,15,16)
InChIKeyHKJPGGJNQBUPER-UHFFFAOYSA-N
XLogP7.47
TPSA82.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.89
LogP ≤ 57.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(2-methoxynaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2-methylnaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole with MolForge

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Related Compounds

1-(4,5-dihydro-1H-imidazol-2-ylmethyl)naphthalen-2-ol;2-[(2-methoxynaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2-methylnaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole
CID 173140513
2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene
CID 139095345
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)naphthalen-2-ol;hydrochloride
CID 66855717
2-[(2-ethyl-6-methylphenyl)methyl]-4,5-dihydro-1H-imidazole
CID 24781717
2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole
CID 4436
2-[(6-methyl-9,10-dihydroanthracen-2-yl)methyl]-4,5-dihydro-1H-imidazole
CID 59637378
2-benzyl-4,5-dihydro-1H-imidazole;hydrate
CID 174926458
2-[(3-fluoro-4-methoxyphenyl)methyl]naphthalene
CID 132602819
7,8-dimethoxy-1-(naphthalen-2-ylmethyl)isoquinoline
CID 11995264
1-[(2,7-dimethoxynaphthalen-1-yl)methyl]-7-methoxy-2-[[7-methoxy-8-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methoxy]naphthalene
CID 166896923
3-(2-methoxynaphthalen-1-yl)-N,N-dimethylpropan-1-amine
CID 170865305
2-[(2,5-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole
CID 58951819

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxynaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2-methylnaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(2-methoxynaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2-methylnaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole (CID 158505216) is 2-[(2-methoxynaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2-methylnaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(2-methoxynaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2-methylnaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(2-methoxynaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2-methylnaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole is COc1ccc2ccccc2c1CC1=NCCN1.Cc1ccc2ccccc2c1CC1=NCCN1.c1ccc2cc(CC3=NCCN3)ccc2c1.
What is the InChIKey of 2-[(2-methoxynaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2-methylnaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is HKJPGGJNQBUPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O.C15H16N2.C14H14N2/c1-18-14-7-6-11-4-2-3-5-12(11)13(14)10-15-16-8-9-17-15;1-11-6-7-12-4-2-3-5-13(12)14(11)10-15-16-8-9-17-15;1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14/h2-7H,8-10H2,1H3,(H,16,17);2-7H,8-10H2,1H3,(H,16,17);1-6,9H,7-8,10H2,(H,15,16).
What are the key properties of 2-[(2-methoxynaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2-methylnaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole?
2-[(2-methoxynaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2-methylnaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 674.89 g/mol, XLogP of 7.47, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxynaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2-methylnaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 158505216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).