N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine

C14H17ClFN3O — CID 106570194

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
SMILESCOCC(C)n1ccnc1NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H17ClFN3O/c1-10(9-20-2)19-6-5-17-14(19)18-8-11-3-4-13(16)12(15)7-11/h3-7,10H,8-9H2,1-2H3,(H,17,18)
InChIKeyOMJBPDVRHAEAON-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.50
Rot. Bonds6

About N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine

N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine (PubChem CID 106570194) has the molecular formula C14H17ClFN3O and a molecular weight of 297.76 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
PubChem CID106570194
Molecular FormulaC14H17ClFN3O
Molecular Weight297.76 g/mol
Exact Mass297.10
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
SMILESCOCC(C)n1ccnc1NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H17ClFN3O/c1-10(9-20-2)19-6-5-17-14(19)18-8-11-3-4-13(16)12(15)7-11/h3-7,10H,8-9H2,1-2H3,(H,17,18)
InChIKeyOMJBPDVRHAEAON-UHFFFAOYSA-N
XLogP3.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106557059
1-(1-methoxypropan-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]imidazol-2-amine
CID 106571991
N-[(3-chloro-4-fluorophenyl)methyl]-1-ethylimidazol-2-amine
CID 62539605
N-(2-chloro-4,6-difluorophenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106578706
N-(2,2-dimethylpropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106563648
N-[1-(4-fluorophenyl)propan-2-yl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106571697
N-[(5-bromothiophen-2-yl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106575529
N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106574060
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclohexylimidazol-2-amine
CID 106570228
N-(cyclopropylmethyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106555195
N-(4-tert-butylphenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106556239
N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine
CID 106556138

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine (CID 106570194) is N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine is COCC(C)n1ccnc1NCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine?
The InChIKey is OMJBPDVRHAEAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3O/c1-10(9-20-2)19-6-5-17-14(19)18-8-11-3-4-13(16)12(15)7-11/h3-7,10H,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine?
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine has a molecular weight of 297.76 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106570194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).