N-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-4,5-dihydro-1H-imidazol-2-amine

C16H21Cl2N3 — CID 91646825

IUPACN-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESClc1ccc(C2(CNC3=NCCN3)CCCCC2)c(Cl)c1
InChIInChI=1S/C16H21Cl2N3/c17-12-4-5-13(14(18)10-12)16(6-2-1-3-7-16)11-21-15-19-8-9-20-15/h4-5,10H,1-3,6-9,11H2,(H2,19,20,21)
InChIKeyDIOVZSUHCVTPAU-UHFFFAOYSA-N
MW326.27 g/mol
LogP3.74
Rot. Bonds3

About N-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-4,5-dihydro-1H-imidazol-2-amine

N-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 91646825) has the molecular formula C16H21Cl2N3 and a molecular weight of 326.27 g/mol. Its IUPAC name is N-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID91646825
Molecular FormulaC16H21Cl2N3
Molecular Weight326.27 g/mol
Exact Mass325.11
IUPAC NameN-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESClc1ccc(C2(CNC3=NCCN3)CCCCC2)c(Cl)c1
InChIInChI=1S/C16H21Cl2N3/c17-12-4-5-13(14(18)10-12)16(6-2-1-3-7-16)11-21-15-19-8-9-20-15/h4-5,10H,1-3,6-9,11H2,(H2,19,20,21)
InChIKeyDIOVZSUHCVTPAU-UHFFFAOYSA-N
XLogP3.74
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-4,5-dihydro-1H-imidazol-2-amine (CID 91646825) is N-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-4,5-dihydro-1H-imidazol-2-amine is Clc1ccc(C2(CNC3=NCCN3)CCCCC2)c(Cl)c1.
What is the InChIKey of N-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is DIOVZSUHCVTPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3/c17-12-4-5-13(14(18)10-12)16(6-2-1-3-7-16)11-21-15-19-8-9-20-15/h4-5,10H,1-3,6-9,11H2,(H2,19,20,21).
What are the key properties of N-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 326.27 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 91646825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).