[4-[2-[6-[(E)-1-chloroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]-4-fluorocyclohexyl]methanol

C19H26ClFN2O — CID 142610990

IUPAC[4-[2-[6-[(E)-1-chloroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]-4-fluorocyclohexyl]methanol
SMILESC/C=C(/Cl)C1=C(C)c2cncn2C1CCC1(F)CCC(CO)CC1
InChIInChI=1S/C19H26ClFN2O/c1-3-15(20)18-13(2)17-10-22-12-23(17)16(18)6-9-19(21)7-4-14(11-24)5-8-19/h3,10,12,14,16,24H,4-9,11H2,1-2H3/b15-3+
InChIKeyMNTRKBFYVJNNPH-CRKCGEKBSA-N
MW352.88 g/mol
LogP5.02
Rot. Bonds5

About [4-[2-[6-[(E)-1-chloroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]-4-fluorocyclohexyl]methanol

[4-[2-[6-[(E)-1-chloroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]-4-fluorocyclohexyl]methanol (PubChem CID 142610990) has the molecular formula C19H26ClFN2O and a molecular weight of 352.88 g/mol. Its IUPAC name is [4-[2-[6-[(E)-1-chloroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]-4-fluorocyclohexyl]methanol.

Molecular Properties

Compound Name[4-[2-[6-[(E)-1-chloroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]-4-fluorocyclohexyl]methanol
PubChem CID142610990
Molecular FormulaC19H26ClFN2O
Molecular Weight352.88 g/mol
Exact Mass352.17
IUPAC Name[4-[2-[6-[(E)-1-chloroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]-4-fluorocyclohexyl]methanol
SMILESC/C=C(/Cl)C1=C(C)c2cncn2C1CCC1(F)CCC(CO)CC1
InChIInChI=1S/C19H26ClFN2O/c1-3-15(20)18-13(2)17-10-22-12-23(17)16(18)6-9-19(21)7-4-14(11-24)5-8-19/h3,10,12,14,16,24H,4-9,11H2,1-2H3/b15-3+
InChIKeyMNTRKBFYVJNNPH-CRKCGEKBSA-N
XLogP5.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.88
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[2-[6-[(E)-1-chloroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]-4-fluorocyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[2-[6-[(E)-1-chloroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]-4-fluorocyclohexyl]methanol?
The IUPAC name of [4-[2-[6-[(E)-1-chloroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]-4-fluorocyclohexyl]methanol (CID 142610990) is [4-[2-[6-[(E)-1-chloroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]-4-fluorocyclohexyl]methanol.
What is the SMILES notation for [4-[2-[6-[(E)-1-chloroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]-4-fluorocyclohexyl]methanol?
The canonical SMILES for [4-[2-[6-[(E)-1-chloroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]-4-fluorocyclohexyl]methanol is C/C=C(/Cl)C1=C(C)c2cncn2C1CCC1(F)CCC(CO)CC1.
What is the InChIKey of [4-[2-[6-[(E)-1-chloroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]-4-fluorocyclohexyl]methanol?
The InChIKey is MNTRKBFYVJNNPH-CRKCGEKBSA-N. The full InChI is InChI=1S/C19H26ClFN2O/c1-3-15(20)18-13(2)17-10-22-12-23(17)16(18)6-9-19(21)7-4-14(11-24)5-8-19/h3,10,12,14,16,24H,4-9,11H2,1-2H3/b15-3+.
What are the key properties of [4-[2-[6-[(E)-1-chloroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]-4-fluorocyclohexyl]methanol?
[4-[2-[6-[(E)-1-chloroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]-4-fluorocyclohexyl]methanol has a molecular weight of 352.88 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[6-[(E)-1-chloroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]-4-fluorocyclohexyl]methanol is sourced from PubChem (CID 142610990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).