N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-1-(1H-imidazol-2-yl)methanamine

C14H15ClFN3 — CID 122132971

IUPACN-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-1-(1H-imidazol-2-yl)methanamine
SMILESFc1ccc(C2(CNCc3ncc[nH]3)CC2)c(Cl)c1
InChIInChI=1S/C14H15ClFN3/c15-12-7-10(16)1-2-11(12)14(3-4-14)9-17-8-13-18-5-6-19-13/h1-2,5-7,17H,3-4,8-9H2,(H,18,19)
InChIKeyFDTVOCMESXSRBG-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.02
Rot. Bonds5

About N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-1-(1H-imidazol-2-yl)methanamine

N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-1-(1H-imidazol-2-yl)methanamine (PubChem CID 122132971) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-1-(1H-imidazol-2-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-1-(1H-imidazol-2-yl)methanamine
PubChem CID122132971
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC NameN-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-1-(1H-imidazol-2-yl)methanamine
SMILESFc1ccc(C2(CNCc3ncc[nH]3)CC2)c(Cl)c1
InChIInChI=1S/C14H15ClFN3/c15-12-7-10(16)1-2-11(12)14(3-4-14)9-17-8-13-18-5-6-19-13/h1-2,5-7,17H,3-4,8-9H2,(H,18,19)
InChIKeyFDTVOCMESXSRBG-UHFFFAOYSA-N
XLogP3.02
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Benzyl-1h-imidazole
CID 240539
2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1H-imidazole
CID 5937184
2-(4-chlorophenyl)-1H-imidazole
CID 242948
2-[(2,6-dichlorophenyl)methyl]-1H-imidazole
CID 18954858
2-[(4-chlorophenyl)(phenyl)methyl]-1H-imidazole
CID 15945455
2-[2-[(2-chlorophenyl)methyl]-1H-imidazol-5-yl]ethanamine
CID 10466618
2-(3-chlorophenyl)-1H-imidazole
CID 316815
2-(2-chlorophenyl)-1H-imidazole
CID 12622722
1H-Imidazole, 4-((2-chlorophenyl)methyl)-, monohydrochloride
CID 3021900
N-[(1-benzylcyclobutyl)methyl]-1-(1H-imidazol-2-yl)methanamine
CID 71971289
2-(2,2-diphenylcyclopropyl)-1H-imidazole
CID 135070
2(2,4-Dichloro-phenyl)-ethyl imidazole
CID 14744586

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-1-(1H-imidazol-2-yl)methanamine?
The IUPAC name of N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-1-(1H-imidazol-2-yl)methanamine (CID 122132971) is N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-1-(1H-imidazol-2-yl)methanamine.
What is the SMILES notation for N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-1-(1H-imidazol-2-yl)methanamine?
The canonical SMILES for N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-1-(1H-imidazol-2-yl)methanamine is Fc1ccc(C2(CNCc3ncc[nH]3)CC2)c(Cl)c1.
What is the InChIKey of N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-1-(1H-imidazol-2-yl)methanamine?
The InChIKey is FDTVOCMESXSRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c15-12-7-10(16)1-2-11(12)14(3-4-14)9-17-8-13-18-5-6-19-13/h1-2,5-7,17H,3-4,8-9H2,(H,18,19).
What are the key properties of N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-1-(1H-imidazol-2-yl)methanamine?
N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-1-(1H-imidazol-2-yl)methanamine has a molecular weight of 279.75 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-1-(1H-imidazol-2-yl)methanamine is sourced from PubChem (CID 122132971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).