N-[(2-chlorophenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine

C23H28ClN3 — CID 10177913

IUPACN-[(2-chlorophenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine
SMILESCCCCCCC(NCc1ccccc1Cl)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C23H28ClN3/c1-2-3-4-8-15-21(25-16-19-13-9-10-14-20(19)24)23-26-17-22(27-23)18-11-6-5-7-12-18/h5-7,9-14,17,21,25H,2-4,8,15-16H2,1H3,(H,26,27)
InChIKeyPQTVOTJDDSWJJD-UHFFFAOYSA-N
MW381.95 g/mol
LogP6.53
Rot. Bonds10

About N-[(2-chlorophenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine

N-[(2-chlorophenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine (PubChem CID 10177913) has the molecular formula C23H28ClN3 and a molecular weight of 381.95 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine
PubChem CID10177913
Molecular FormulaC23H28ClN3
Molecular Weight381.95 g/mol
Exact Mass381.20
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine
SMILESCCCCCCC(NCc1ccccc1Cl)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C23H28ClN3/c1-2-3-4-8-15-21(25-16-19-13-9-10-14-20(19)24)23-26-17-22(27-23)18-11-6-5-7-12-18/h5-7,9-14,17,21,25H,2-4,8,15-16H2,1H3,(H,26,27)
InChIKeyPQTVOTJDDSWJJD-UHFFFAOYSA-N
XLogP6.53
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.95
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-chlorophenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-N-(2-methylpropyl)-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine
CID 67214186
(1R)-N,N-dihexyl-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine
CID 67214777
N-[(2-chlorophenyl)methyl]nonan-2-amine
CID 43129766
(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
CID 67213867
(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]heptan-1-amine
CID 67214436
2-(5-chloro-1-benzothiophen-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide
CID 67269007
2-(5-phenyl-1H-imidazol-2-yl)-2-(propan-2-ylamino)ethanol
CID 141125833
(1S)-1-[5-(3-bromophenyl)-1H-imidazol-2-yl]heptan-1-amine
CID 67214458
4-chloro-N-nonyl-3-(5-phenyl-1H-imidazol-2-yl)aniline
CID 162063457
N-heptyl-N-pentyl-5-phenyl-1H-imidazol-2-amine
CID 141036580
2-[(2,3-dichlorophenyl)methyl]-5-phenyl-1H-imidazole
CID 141255839
2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine
CID 63521234

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine (CID 10177913) is N-[(2-chlorophenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine is CCCCCCC(NCc1ccccc1Cl)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine?
The InChIKey is PQTVOTJDDSWJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3/c1-2-3-4-8-15-21(25-16-19-13-9-10-14-20(19)24)23-26-17-22(27-23)18-11-6-5-7-12-18/h5-7,9-14,17,21,25H,2-4,8,15-16H2,1H3,(H,26,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine?
N-[(2-chlorophenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine has a molecular weight of 381.95 g/mol, XLogP of 6.53, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine is sourced from PubChem (CID 10177913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).