2-benzyl-4,5-dihydro-1H-imidazole;hydrate

C10H14N2O — CID 174926458

IUPAC2-benzyl-4,5-dihydro-1H-imidazole;hydrate
SMILESO.c1ccc(CC2=NCCN2)cc1
InChIInChI=1S/C10H12N2.H2O/c1-2-4-9(5-3-1)8-10-11-6-7-12-10;/h1-5H,6-8H2,(H,11,12);1H2
InChIKeyITDQKWQQWIAMNL-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.41
Rot. Bonds2

About 2-benzyl-4,5-dihydro-1H-imidazole;hydrate

2-benzyl-4,5-dihydro-1H-imidazole;hydrate (PubChem CID 174926458) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-benzyl-4,5-dihydro-1H-imidazole;hydrate.

Molecular Properties

Compound Name2-benzyl-4,5-dihydro-1H-imidazole;hydrate
PubChem CID174926458
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-benzyl-4,5-dihydro-1H-imidazole;hydrate
SMILESO.c1ccc(CC2=NCCN2)cc1
InChIInChI=1S/C10H12N2.H2O/c1-2-4-9(5-3-1)8-10-11-6-7-12-10;/h1-5H,6-8H2,(H,11,12);1H2
InChIKeyITDQKWQQWIAMNL-UHFFFAOYSA-N
XLogP0.41
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-4,5-dihydro-1H-imidazole;sulfurothioic O-acid
CID 18468865
N-benzyl-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
CID 165345148
ethane;2-(2-phenylethyl)-4,5-dihydro-1H-imidazole
CID 145111115
2-[(2-benzyl-4-chlorophenyl)methyl]-4,5-dihydro-1H-imidazole
CID 170150906
3-benzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
CID 68913933
2-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
CID 23617938
2-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 126477109
2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
CID 22493434
2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole
CID 4436
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)naphthalen-2-ol;hydrochloride
CID 66855717
2-[3-(4-phenylphenyl)propyl]-4,5-dihydro-1H-imidazole
CID 150959771
3-(4,5-dihydro-1H-imidazol-2-yl)-1,1-diphenylpropane-2-thiol
CID 88809671

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4,5-dihydro-1H-imidazole;hydrate?
The IUPAC name of 2-benzyl-4,5-dihydro-1H-imidazole;hydrate (CID 174926458) is 2-benzyl-4,5-dihydro-1H-imidazole;hydrate.
What is the SMILES notation for 2-benzyl-4,5-dihydro-1H-imidazole;hydrate?
The canonical SMILES for 2-benzyl-4,5-dihydro-1H-imidazole;hydrate is O.c1ccc(CC2=NCCN2)cc1.
What is the InChIKey of 2-benzyl-4,5-dihydro-1H-imidazole;hydrate?
The InChIKey is ITDQKWQQWIAMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.H2O/c1-2-4-9(5-3-1)8-10-11-6-7-12-10;/h1-5H,6-8H2,(H,11,12);1H2.
What are the key properties of 2-benzyl-4,5-dihydro-1H-imidazole;hydrate?
2-benzyl-4,5-dihydro-1H-imidazole;hydrate has a molecular weight of 178.24 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4,5-dihydro-1H-imidazole;hydrate is sourced from PubChem (CID 174926458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).