N-[[1-[(3-chlorophenyl)methyl]cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine

C15H20ClN3 — CID 122098622

IUPACN-[[1-[(3-chlorophenyl)methyl]cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCC1(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H20ClN3/c1-19-8-7-17-14(19)18-11-15(5-6-15)10-12-3-2-4-13(16)9-12/h2-4,9H,5-8,10-11H2,1H3,(H,17,18)
InChIKeyZVGRCVCFAXUYJP-UHFFFAOYSA-N
MW277.80 g/mol
LogP2.55
Rot. Bonds4

About N-[[1-[(3-chlorophenyl)methyl]cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine

N-[[1-[(3-chlorophenyl)methyl]cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 122098622) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[[1-[(3-chlorophenyl)methyl]cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[[1-[(3-chlorophenyl)methyl]cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID122098622
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC NameN-[[1-[(3-chlorophenyl)methyl]cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCC1(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H20ClN3/c1-19-8-7-17-14(19)18-11-15(5-6-15)10-12-3-2-4-13(16)9-12/h2-4,9H,5-8,10-11H2,1H3,(H,17,18)
InChIKeyZVGRCVCFAXUYJP-UHFFFAOYSA-N
XLogP2.55
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66024867
N-[2-(3-chlorophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970612
1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62726411
N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972737
1-methyl-N-[(1-phenylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969379
N-[(4-ethyloxan-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970990
1-methyl-N-[[3-(methylsulfanylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972308
N-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]methanesulfonamide;hydroiodide
CID 120969422
[1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 65391761
3-[[[1-[(3-chlorophenyl)methyl]cyclopropyl]methylamino]methyl]benzoic acid
CID 122035324
(1S)-1-(3-chlorophenyl)-2-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]ethanol
CID 122095980
N-(1-bicyclo[2.2.1]heptanylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971853

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chlorophenyl)methyl]cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[[1-[(3-chlorophenyl)methyl]cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 122098622) is N-[[1-[(3-chlorophenyl)methyl]cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[[1-[(3-chlorophenyl)methyl]cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[[1-[(3-chlorophenyl)methyl]cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine is CN1CCN=C1NCC1(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of N-[[1-[(3-chlorophenyl)methyl]cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is ZVGRCVCFAXUYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-19-8-7-17-14(19)18-11-15(5-6-15)10-12-3-2-4-13(16)9-12/h2-4,9H,5-8,10-11H2,1H3,(H,17,18).
What are the key properties of N-[[1-[(3-chlorophenyl)methyl]cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[[1-[(3-chlorophenyl)methyl]cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 277.80 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-chlorophenyl)methyl]cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 122098622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).