(4S)-5-[(3-methylthiophen-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C18H23N5S — CID 95871567

IUPAC(4S)-5-[(3-methylthiophen-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCn1ccnc1[C@@H]1c2nc[nH]c2CCN1Cc1sccc1C
InChIInChI=1S/C18H23N5S/c1-3-7-22-9-6-19-18(22)17-16-14(20-12-21-16)4-8-23(17)11-15-13(2)5-10-24-15/h5-6,9-10,12,17H,3-4,7-8,11H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyUWQFZQSWLLCDPU-KRWDZBQOSA-N
MW341.48 g/mol
LogP3.53
Rot. Bonds5

About (4S)-5-[(3-methylthiophen-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

(4S)-5-[(3-methylthiophen-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 95871567) has the molecular formula C18H23N5S and a molecular weight of 341.48 g/mol. Its IUPAC name is (4S)-5-[(3-methylthiophen-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4S)-5-[(3-methylthiophen-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID95871567
Molecular FormulaC18H23N5S
Molecular Weight341.48 g/mol
Exact Mass341.17
IUPAC Name(4S)-5-[(3-methylthiophen-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCn1ccnc1[C@@H]1c2nc[nH]c2CCN1Cc1sccc1C
InChIInChI=1S/C18H23N5S/c1-3-7-22-9-6-19-18(22)17-16-14(20-12-21-16)4-8-23(17)11-15-13(2)5-10-24-15/h5-6,9-10,12,17H,3-4,7-8,11H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyUWQFZQSWLLCDPU-KRWDZBQOSA-N
XLogP3.53
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-5-[(3-methylthiophen-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (4S)-5-[(3-methylthiophen-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 95871567) is (4S)-5-[(3-methylthiophen-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (4S)-5-[(3-methylthiophen-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (4S)-5-[(3-methylthiophen-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CCCn1ccnc1[C@@H]1c2nc[nH]c2CCN1Cc1sccc1C.
What is the InChIKey of (4S)-5-[(3-methylthiophen-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is UWQFZQSWLLCDPU-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23N5S/c1-3-7-22-9-6-19-18(22)17-16-14(20-12-21-16)4-8-23(17)11-15-13(2)5-10-24-15/h5-6,9-10,12,17H,3-4,7-8,11H2,1-2H3,(H,20,21)/t17-/m0/s1.
What are the key properties of (4S)-5-[(3-methylthiophen-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
(4S)-5-[(3-methylthiophen-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 341.48 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-[(3-methylthiophen-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 95871567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).