7-(cyclopropylmethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C17H23N3OS — CID 118739796

IUPAC7-(cyclopropylmethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCn1cnc2c1C(COCC1CC1)CN(Cc1ccsc1)C2
InChIInChI=1S/C17H23N3OS/c1-19-12-18-16-8-20(6-14-4-5-22-11-14)7-15(17(16)19)10-21-9-13-2-3-13/h4-5,11-13,15H,2-3,6-10H2,1H3
InChIKeyZBRDGFHTCPDGHE-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.01
Rot. Bonds6

About 7-(cyclopropylmethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

7-(cyclopropylmethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 118739796) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 7-(cyclopropylmethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name7-(cyclopropylmethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID118739796
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name7-(cyclopropylmethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCn1cnc2c1C(COCC1CC1)CN(Cc1ccsc1)C2
InChIInChI=1S/C17H23N3OS/c1-19-12-18-16-8-20(6-14-4-5-22-11-14)7-15(17(16)19)10-21-9-13-2-3-13/h4-5,11-13,15H,2-3,6-10H2,1H3
InChIKeyZBRDGFHTCPDGHE-UHFFFAOYSA-N
XLogP3.01
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 7-(cyclopropylmethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 118739796) is 7-(cyclopropylmethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 7-(cyclopropylmethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 7-(cyclopropylmethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is Cn1cnc2c1C(COCC1CC1)CN(Cc1ccsc1)C2.
What is the InChIKey of 7-(cyclopropylmethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is ZBRDGFHTCPDGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-19-12-18-16-8-20(6-14-4-5-22-11-14)7-15(17(16)19)10-21-9-13-2-3-13/h4-5,11-13,15H,2-3,6-10H2,1H3.
What are the key properties of 7-(cyclopropylmethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
7-(cyclopropylmethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 317.46 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 118739796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).