N-(2-chloro-3,5-dipropoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine

C15H22ClN3O2 — CID 10236610

IUPACN-(2-chloro-3,5-dipropoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCCCOc1cc(NC2=NCCN2)c(Cl)c(OCCC)c1
InChIInChI=1S/C15H22ClN3O2/c1-3-7-20-11-9-12(19-15-17-5-6-18-15)14(16)13(10-11)21-8-4-2/h9-10H,3-8H2,1-2H3,(H2,17,18,19)
InChIKeyNJSXJRUWJRZZLO-UHFFFAOYSA-N
MW311.81 g/mol
LogP3.29
Rot. Bonds7

About N-(2-chloro-3,5-dipropoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine

N-(2-chloro-3,5-dipropoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 10236610) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(2-chloro-3,5-dipropoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-3,5-dipropoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID10236610
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(2-chloro-3,5-dipropoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCCCOc1cc(NC2=NCCN2)c(Cl)c(OCCC)c1
InChIInChI=1S/C15H22ClN3O2/c1-3-7-20-11-9-12(19-15-17-5-6-18-15)14(16)13(10-11)21-8-4-2/h9-10H,3-8H2,1-2H3,(H2,17,18,19)
InChIKeyNJSXJRUWJRZZLO-UHFFFAOYSA-N
XLogP3.29
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-3-N-methyl-3-N-propylbenzene-1,3-diamine
CID 142161063
N-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114399974
5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine
CID 3086326
N-(2-bromo-3-chloro-5-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 59922089
N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;ethanol
CID 122517146
2-chloro-1,3-dimethyl-5-propoxybenzene
CID 123140196
6-propoxy-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43247834
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
CID 138491779
N-ethyl-2,5-dipropoxyaniline
CID 82267866
lithium (2,4,6-tripropoxyphenyl)phosphanide
CID 141016001
N-[2-butoxy-5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide
CID 71146453
bis(4-N-(4,5-dihydro-1H-imidazol-2-yl)-2,6-diethylbenzene-1,4-diamine);tetrahydrochloride
CID 70450555

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3,5-dipropoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(2-chloro-3,5-dipropoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine (CID 10236610) is N-(2-chloro-3,5-dipropoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(2-chloro-3,5-dipropoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(2-chloro-3,5-dipropoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine is CCCOc1cc(NC2=NCCN2)c(Cl)c(OCCC)c1.
What is the InChIKey of N-(2-chloro-3,5-dipropoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is NJSXJRUWJRZZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-3-7-20-11-9-12(19-15-17-5-6-18-15)14(16)13(10-11)21-8-4-2/h9-10H,3-8H2,1-2H3,(H2,17,18,19).
What are the key properties of N-(2-chloro-3,5-dipropoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(2-chloro-3,5-dipropoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 311.81 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3,5-dipropoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 10236610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).