N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyaniline

C11H15N3O — CID 12774555

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyaniline
SMILESCOc1ccc(NCC2=NCCN2)cc1
InChIInChI=1S/C11H15N3O/c1-15-10-4-2-9(3-5-10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
InChIKeyKYPOKQJCZISDOO-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.11
Rot. Bonds4

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyaniline

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyaniline (PubChem CID 12774555) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyaniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyaniline
PubChem CID12774555
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyaniline
SMILESCOc1ccc(NCC2=NCCN2)cc1
InChIInChI=1S/C11H15N3O/c1-15-10-4-2-9(3-5-10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
InChIKeyKYPOKQJCZISDOO-UHFFFAOYSA-N
XLogP1.11
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline
CID 23539990
2-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
CID 71404403
2-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoro-3-methylaniline
CID 14878249
N-[(2-chloropyrimidin-5-yl)methyl]-4-methoxyaniline
CID 167053365
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide
CID 729797
4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60685427
4-methoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 43663944
4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62748569
4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087956
4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
CID 855075
2-[2-(4-ethoxyphenoxy)ethyl]-4,5-dihydro-1H-imidazole
CID 95450542
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-(4-methoxyphenyl)-2-methylpropanamide
CID 82240501

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyaniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyaniline (CID 12774555) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyaniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyaniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyaniline is COc1ccc(NCC2=NCCN2)cc1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyaniline?
The InChIKey is KYPOKQJCZISDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-15-10-4-2-9(3-5-10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyaniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyaniline has a molecular weight of 205.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyaniline is sourced from PubChem (CID 12774555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).