2-cyclopropyl-1-methyl-5-[2-[(R)-phenylsulfinyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C18H23N3OS — CID 97009721

IUPAC2-cyclopropyl-1-methyl-5-[2-[(R)-phenylsulfinyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCn1c(C2CC2)nc2c1CCN(CC[S@@](=O)c1ccccc1)C2
InChIInChI=1S/C18H23N3OS/c1-20-17-9-10-21(13-16(17)19-18(20)14-7-8-14)11-12-23(22)15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3/t23-/m1/s1
InChIKeyMGFJRRDWXZSCKD-HSZRJFAPSA-N
MW329.47 g/mol
LogP2.46
Rot. Bonds5

About 2-cyclopropyl-1-methyl-5-[2-[(R)-phenylsulfinyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine

2-cyclopropyl-1-methyl-5-[2-[(R)-phenylsulfinyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 97009721) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-cyclopropyl-1-methyl-5-[2-[(R)-phenylsulfinyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-cyclopropyl-1-methyl-5-[2-[(R)-phenylsulfinyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID97009721
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name2-cyclopropyl-1-methyl-5-[2-[(R)-phenylsulfinyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCn1c(C2CC2)nc2c1CCN(CC[S@@](=O)c1ccccc1)C2
InChIInChI=1S/C18H23N3OS/c1-20-17-9-10-21(13-16(17)19-18(20)14-7-8-14)11-12-23(22)15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3/t23-/m1/s1
InChIKeyMGFJRRDWXZSCKD-HSZRJFAPSA-N
XLogP2.46
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-1-methyl-5-[2-[(R)-phenylsulfinyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine 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 2-cyclopropyl-1-methyl-5-[2-[(R)-phenylsulfinyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-cyclopropyl-1-methyl-5-[2-[(R)-phenylsulfinyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 97009721) is 2-cyclopropyl-1-methyl-5-[2-[(R)-phenylsulfinyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-cyclopropyl-1-methyl-5-[2-[(R)-phenylsulfinyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-cyclopropyl-1-methyl-5-[2-[(R)-phenylsulfinyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine is Cn1c(C2CC2)nc2c1CCN(CC[S@@](=O)c1ccccc1)C2.
What is the InChIKey of 2-cyclopropyl-1-methyl-5-[2-[(R)-phenylsulfinyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is MGFJRRDWXZSCKD-HSZRJFAPSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-20-17-9-10-21(13-16(17)19-18(20)14-7-8-14)11-12-23(22)15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3/t23-/m1/s1.
What are the key properties of 2-cyclopropyl-1-methyl-5-[2-[(R)-phenylsulfinyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
2-cyclopropyl-1-methyl-5-[2-[(R)-phenylsulfinyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 329.47 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-methyl-5-[2-[(R)-phenylsulfinyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 97009721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).