4-(2-heptyl-1H-imidazol-5-yl)-2-methanimidoylaniline

C17H24N4 — CID 130373765

IUPAC4-(2-heptyl-1H-imidazol-5-yl)-2-methanimidoylaniline
SMILES[H]/N=C/c1cc(-c2cnc(CCCCCCC)[nH]2)ccc1N
InChIInChI=1S/C17H24N4/c1-2-3-4-5-6-7-17-20-12-16(21-17)13-8-9-15(19)14(10-13)11-18/h8-12,18H,2-7,19H2,1H3,(H,20,21)/b18-11+
InChIKeyVTMVUDQTZQRBQI-WOJGMQOQSA-N
MW284.41 g/mol
LogP4.17
Rot. Bonds8

About 4-(2-heptyl-1H-imidazol-5-yl)-2-methanimidoylaniline

4-(2-heptyl-1H-imidazol-5-yl)-2-methanimidoylaniline (PubChem CID 130373765) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-(2-heptyl-1H-imidazol-5-yl)-2-methanimidoylaniline.

Molecular Properties

Compound Name4-(2-heptyl-1H-imidazol-5-yl)-2-methanimidoylaniline
PubChem CID130373765
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-(2-heptyl-1H-imidazol-5-yl)-2-methanimidoylaniline
SMILES[H]/N=C/c1cc(-c2cnc(CCCCCCC)[nH]2)ccc1N
InChIInChI=1S/C17H24N4/c1-2-3-4-5-6-7-17-20-12-16(21-17)13-8-9-15(19)14(10-13)11-18/h8-12,18H,2-7,19H2,1H3,(H,20,21)/b18-11+
InChIKeyVTMVUDQTZQRBQI-WOJGMQOQSA-N
XLogP4.17
TPSA78.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-butyl-1H-imidazol-5-yl)aniline
CID 173009112
2-heptyl-5-[4-[(1Z,3Z)-penta-1,3-dienyl]phenyl]-1H-imidazole
CID 130373680
diethyl-[4-(2-heptadecyl-1H-imidazol-5-yl)phenoxy]alumane
CID 87933315
5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651162
6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651738
5-(4-amino-3-methanimidoylphenyl)-6-(3-propylphenyl)pyridin-3-amine
CID 123380813
2-(2-dodecyl-1H-imidazol-5-yl)ethanamine
CID 10731390
6-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651783
3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine
CID 175786027
5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651189
5-(2-ethyl-1H-imidazol-5-yl)-2-methoxyaniline
CID 115030164
7-[5-(6-methoxynaphthalen-2-yl)-1H-imidazol-2-yl]heptanamide
CID 90149185

Frequently Asked Questions

What is the IUPAC name of 4-(2-heptyl-1H-imidazol-5-yl)-2-methanimidoylaniline?
The IUPAC name of 4-(2-heptyl-1H-imidazol-5-yl)-2-methanimidoylaniline (CID 130373765) is 4-(2-heptyl-1H-imidazol-5-yl)-2-methanimidoylaniline.
What is the SMILES notation for 4-(2-heptyl-1H-imidazol-5-yl)-2-methanimidoylaniline?
The canonical SMILES for 4-(2-heptyl-1H-imidazol-5-yl)-2-methanimidoylaniline is [H]/N=C/c1cc(-c2cnc(CCCCCCC)[nH]2)ccc1N.
What is the InChIKey of 4-(2-heptyl-1H-imidazol-5-yl)-2-methanimidoylaniline?
The InChIKey is VTMVUDQTZQRBQI-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H24N4/c1-2-3-4-5-6-7-17-20-12-16(21-17)13-8-9-15(19)14(10-13)11-18/h8-12,18H,2-7,19H2,1H3,(H,20,21)/b18-11+.
What are the key properties of 4-(2-heptyl-1H-imidazol-5-yl)-2-methanimidoylaniline?
4-(2-heptyl-1H-imidazol-5-yl)-2-methanimidoylaniline has a molecular weight of 284.41 g/mol, XLogP of 4.17, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-heptyl-1H-imidazol-5-yl)-2-methanimidoylaniline is sourced from PubChem (CID 130373765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).