5-(3-chloro-4-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine

C14H17ClFN3 — CID 79520713

IUPAC5-(3-chloro-4-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine
SMILESCC1(c2ccc(F)c(Cl)c2)CN=C(N)N1CC1CC1
InChIInChI=1S/C14H17ClFN3/c1-14(10-4-5-12(16)11(15)6-10)8-18-13(17)19(14)7-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3,(H2,17,18)
InChIKeyPWZMDEGYEQZJKE-UHFFFAOYSA-N
MW281.76 g/mol
LogP2.73
Rot. Bonds3

About 5-(3-chloro-4-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine

5-(3-chloro-4-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine (PubChem CID 79520713) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine
PubChem CID79520713
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC Name5-(3-chloro-4-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine
SMILESCC1(c2ccc(F)c(Cl)c2)CN=C(N)N1CC1CC1
InChIInChI=1S/C14H17ClFN3/c1-14(10-4-5-12(16)11(15)6-10)8-18-13(17)19(14)7-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3,(H2,17,18)
InChIKeyPWZMDEGYEQZJKE-UHFFFAOYSA-N
XLogP2.73
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chloro-4-fluorophenyl)-1,5-dimethyl-4H-imidazol-2-amine
CID 79510819
5-(5-bromo-2-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine
CID 82973144
1-(cyclopropylmethyl)-5-methyl-5-pyridin-3-yl-4H-imidazol-2-amine
CID 79521666
5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
CID 79496902
1-(cyclopropylmethyl)-5-ethyl-5-(4-methoxyphenyl)-4H-imidazol-2-amine
CID 79520804
4-(2-amino-1-ethyl-5-methyl-4H-imidazol-5-yl)phenol
CID 79510490
5-(2,5-dichlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
CID 79498225
1-(4-chlorophenyl)-5-(3-fluorophenyl)-5-methyl-4H-imidazol-2-amine
CID 79502372
5-(3-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
CID 79498707
5-(3-bromo-4-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine
CID 79498282
5-(3-chlorophenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
CID 79521313
5-(4-chlorophenyl)-5-cyclopropyl-1-propyl-4H-imidazol-2-amine
CID 79509969

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine (CID 79520713) is 5-(3-chloro-4-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine is CC1(c2ccc(F)c(Cl)c2)CN=C(N)N1CC1CC1.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine?
The InChIKey is PWZMDEGYEQZJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3/c1-14(10-4-5-12(16)11(15)6-10)8-18-13(17)19(14)7-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3,(H2,17,18).
What are the key properties of 5-(3-chloro-4-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine?
5-(3-chloro-4-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine has a molecular weight of 281.76 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79520713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).