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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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).