3-[[2-(2-chloro-6-fluorophenyl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

C15H13ClFN5 — CID 56873192

IUPAC3-[[2-(2-chloro-6-fluorophenyl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESFc1cccc(Cl)c1-c1nccn1Cc1nnc2n1CCC2
InChIInChI=1S/C15H13ClFN5/c16-10-3-1-4-11(17)14(10)15-18-6-8-21(15)9-13-20-19-12-5-2-7-22(12)13/h1,3-4,6,8H,2,5,7,9H2
InChIKeyMWXYVLHRGOAGQI-UHFFFAOYSA-N
MW317.76 g/mol
LogP2.93
Rot. Bonds3

About 3-[[2-(2-chloro-6-fluorophenyl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

3-[[2-(2-chloro-6-fluorophenyl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 56873192) has the molecular formula C15H13ClFN5 and a molecular weight of 317.76 g/mol. Its IUPAC name is 3-[[2-(2-chloro-6-fluorophenyl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-[[2-(2-chloro-6-fluorophenyl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID56873192
Molecular FormulaC15H13ClFN5
Molecular Weight317.76 g/mol
Exact Mass317.08
IUPAC Name3-[[2-(2-chloro-6-fluorophenyl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESFc1cccc(Cl)c1-c1nccn1Cc1nnc2n1CCC2
InChIInChI=1S/C15H13ClFN5/c16-10-3-1-4-11(17)14(10)15-18-6-8-21(15)9-13-20-19-12-5-2-7-22(12)13/h1,3-4,6,8H,2,5,7,9H2
InChIKeyMWXYVLHRGOAGQI-UHFFFAOYSA-N
XLogP2.93
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.76
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 56869815
2-[2-(2-chloro-6-fluorophenyl)imidazol-1-yl]ethanol
CID 82560649
3-[(2-propan-2-ylimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 113361809
1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-one
CID 107078714
3-[[2-(2-chloro-6-fluorophenyl)imidazol-1-yl]methyl]benzonitrile
CID 82561650
N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazol-2-yl]methyl]cyclopropanamine
CID 107078498
3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 154882662
1-(cyclopentylmethyl)-2-(2,6-dichlorophenyl)imidazole
CID 165428017
2-(2-chloro-6-fluorophenyl)-1-methylimidazole
CID 82077992
3-[(3-methylpyrazol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 71833016
[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)indol-7-yl]methanol
CID 107078488
1-[(2-chloro-6-fluorophenyl)methyl]-2-thiophen-2-ylimidazole
CID 115917911

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chloro-6-fluorophenyl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-[[2-(2-chloro-6-fluorophenyl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 56873192) is 3-[[2-(2-chloro-6-fluorophenyl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-[[2-(2-chloro-6-fluorophenyl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-[[2-(2-chloro-6-fluorophenyl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is Fc1cccc(Cl)c1-c1nccn1Cc1nnc2n1CCC2.
What is the InChIKey of 3-[[2-(2-chloro-6-fluorophenyl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is MWXYVLHRGOAGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN5/c16-10-3-1-4-11(17)14(10)15-18-6-8-21(15)9-13-20-19-12-5-2-7-22(12)13/h1,3-4,6,8H,2,5,7,9H2.
What are the key properties of 3-[[2-(2-chloro-6-fluorophenyl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-[[2-(2-chloro-6-fluorophenyl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 317.76 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chloro-6-fluorophenyl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 56873192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).