(7R)-7-(ethoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C16H23N3OS — CID 97382850

IUPAC(7R)-7-(ethoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCOC[C@@H]1CN(Cc2ccc(C)s2)Cc2ncn(C)c21
InChIInChI=1S/C16H23N3OS/c1-4-20-10-13-7-19(8-14-6-5-12(2)21-14)9-15-16(13)18(3)11-17-15/h5-6,11,13H,4,7-10H2,1-3H3/t13-/m0/s1
InChIKeyBVKSTIXYCJEGHX-ZDUSSCGKSA-N
MW305.45 g/mol
LogP2.93
Rot. Bonds5

About (7R)-7-(ethoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine

(7R)-7-(ethoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 97382850) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is (7R)-7-(ethoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(7R)-7-(ethoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID97382850
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name(7R)-7-(ethoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCOC[C@@H]1CN(Cc2ccc(C)s2)Cc2ncn(C)c21
InChIInChI=1S/C16H23N3OS/c1-4-20-10-13-7-19(8-14-6-5-12(2)21-14)9-15-16(13)18(3)11-17-15/h5-6,11,13H,4,7-10H2,1-3H3/t13-/m0/s1
InChIKeyBVKSTIXYCJEGHX-ZDUSSCGKSA-N
XLogP2.93
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(ethoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of (7R)-7-(ethoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 97382850) is (7R)-7-(ethoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for (7R)-7-(ethoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for (7R)-7-(ethoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CCOC[C@@H]1CN(Cc2ccc(C)s2)Cc2ncn(C)c21.
What is the InChIKey of (7R)-7-(ethoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is BVKSTIXYCJEGHX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-4-20-10-13-7-19(8-14-6-5-12(2)21-14)9-15-16(13)18(3)11-17-15/h5-6,11,13H,4,7-10H2,1-3H3/t13-/m0/s1.
What are the key properties of (7R)-7-(ethoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
(7R)-7-(ethoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 305.45 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(ethoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 97382850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).