N-[(4-chlorophenyl)-phenylmethyl]-4,5-dihydro-1H-imidazol-2-amine

C16H16ClN3 — CID 22751285

IUPACN-[(4-chlorophenyl)-phenylmethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESClc1ccc(C(NC2=NCCN2)c2ccccc2)cc1
InChIInChI=1S/C16H16ClN3/c17-14-8-6-13(7-9-14)15(12-4-2-1-3-5-12)20-16-18-10-11-19-16/h1-9,15H,10-11H2,(H2,18,19,20)
InChIKeyHYKUTRCFLVWMTA-UHFFFAOYSA-N
MW285.78 g/mol
LogP2.98
Rot. Bonds3

About N-[(4-chlorophenyl)-phenylmethyl]-4,5-dihydro-1H-imidazol-2-amine

N-[(4-chlorophenyl)-phenylmethyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 22751285) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-phenylmethyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-phenylmethyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID22751285
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC NameN-[(4-chlorophenyl)-phenylmethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESClc1ccc(C(NC2=NCCN2)c2ccccc2)cc1
InChIInChI=1S/C16H16ClN3/c17-14-8-6-13(7-9-14)15(12-4-2-1-3-5-12)20-16-18-10-11-19-16/h1-9,15H,10-11H2,(H2,18,19,20)
InChIKeyHYKUTRCFLVWMTA-UHFFFAOYSA-N
XLogP2.98
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(S)-(4-chlorophenyl)-phenylmethyl]-1,2,5,6-tetrahydro-1,2,4-triazine
CID 129373371
N-[2-(2-chloro-4-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 11961273
methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-phenylacetate
CID 114400162
N-[(1R)-1-(4-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 104921027
ethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine
CID 90984879
4-[1-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]benzonitrile
CID 115601431
1-benzhydryl-4-chlorobenzene
CID 13050205
1-(3-chloro-2-pyridinyl)-2-(4,5-dihydro-1H-imidazol-2-yl)hydrazine
CID 130009288
N-(2-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 5242373
benzyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)propanoate
CID 170212082
N-[2-(3-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine;formic acid
CID 25032490
N-[(1S)-1-(4-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 51980487

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-4,5-dihydro-1H-imidazol-2-amine (CID 22751285) is N-[(4-chlorophenyl)-phenylmethyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)-phenylmethyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)-phenylmethyl]-4,5-dihydro-1H-imidazol-2-amine is Clc1ccc(C(NC2=NCCN2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-phenylmethyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is HYKUTRCFLVWMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c17-14-8-6-13(7-9-14)15(12-4-2-1-3-5-12)20-16-18-10-11-19-16/h1-9,15H,10-11H2,(H2,18,19,20).
What are the key properties of N-[(4-chlorophenyl)-phenylmethyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[(4-chlorophenyl)-phenylmethyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 285.78 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-phenylmethyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 22751285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).