[(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl] carbamate

C14H15Cl2N3O2 — CID 175522367

IUPAC[(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl] carbamate
SMILESCC(C)[C@H](OC(N)=O)c1ncc(-c2ccc(Cl)c(Cl)c2)[nH]1
InChIInChI=1S/C14H15Cl2N3O2/c1-7(2)12(21-14(17)20)13-18-6-11(19-13)8-3-4-9(15)10(16)5-8/h3-7,12H,1-2H3,(H2,17,20)(H,18,19)/t12-/m0/s1
InChIKeyZPFNBZFCRSDUQR-LBPRGKRZSA-N
MW328.20 g/mol
LogP4.18
Rot. Bonds4

About [(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl] carbamate

[(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl] carbamate (PubChem CID 175522367) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is [(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl] carbamate.

Molecular Properties

Compound Name[(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl] carbamate
PubChem CID175522367
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name[(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl] carbamate
SMILESCC(C)[C@H](OC(N)=O)c1ncc(-c2ccc(Cl)c(Cl)c2)[nH]1
InChIInChI=1S/C14H15Cl2N3O2/c1-7(2)12(21-14(17)20)13-18-6-11(19-13)8-3-4-9(15)10(16)5-8/h3-7,12H,1-2H3,(H2,17,20)(H,18,19)/t12-/m0/s1
InChIKeyZPFNBZFCRSDUQR-LBPRGKRZSA-N
XLogP4.18
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]butan-1-amine
CID 65232570
[(1S,2S)-1-(3,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate
CID 137375869
(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]heptan-1-amine
CID 67214436
2-chloro-5-(3,4-dichlorophenyl)-1H-imidazole
CID 116884455
2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 116878737
[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methylcarbamic acid
CID 143516405
methyl (2S)-2-amino-2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]acetate
CID 102970522
2-[(4-cyanophenyl)methylsulfanyl]-N-[(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]ethyl]acetamide
CID 97088110
2-[(4-cyanophenyl)methylsulfanyl]-N-[1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]ethyl]acetamide
CID 71914945
2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 65230342
1-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 43651379
1-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 43651303

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl] carbamate?
The IUPAC name of [(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl] carbamate (CID 175522367) is [(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl] carbamate.
What is the SMILES notation for [(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl] carbamate?
The canonical SMILES for [(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl] carbamate is CC(C)[C@H](OC(N)=O)c1ncc(-c2ccc(Cl)c(Cl)c2)[nH]1.
What is the InChIKey of [(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl] carbamate?
The InChIKey is ZPFNBZFCRSDUQR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c1-7(2)12(21-14(17)20)13-18-6-11(19-13)8-3-4-9(15)10(16)5-8/h3-7,12H,1-2H3,(H2,17,20)(H,18,19)/t12-/m0/s1.
What are the key properties of [(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl] carbamate?
[(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl] carbamate has a molecular weight of 328.20 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl] carbamate is sourced from PubChem (CID 175522367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).