1-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C12H17N5 — CID 64853790

IUPAC1-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1cn(CCCn2cnc3c2CCNC3)cn1
InChIInChI=1S/C12H17N5/c1(5-16-7-4-14-9-16)6-17-10-15-11-8-13-3-2-12(11)17/h4,7,9-10,13H,1-3,5-6,8H2
InChIKeyUNPIIHSLSCDXDG-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.82
Rot. Bonds4

About 1-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64853790) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64853790
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1cn(CCCn2cnc3c2CCNC3)cn1
InChIInChI=1S/C12H17N5/c1(5-16-7-4-14-9-16)6-17-10-15-11-8-13-3-2-12(11)17/h4,7,9-10,13H,1-3,5-6,8H2
InChIKeyUNPIIHSLSCDXDG-UHFFFAOYSA-N
XLogP0.82
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroimidazo[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

Related Compounds

3-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483663
2-cyclopentyl-1-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856645
1-[2-(3,5-difluorophenyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64854172
1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one
CID 116624386
4-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]-4-methylpiperidine
CID 114718896
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
6-chloro-3-(3-imidazol-1-ylpropyl)-5-iodopyrimidin-4-one
CID 114584039
1-(3-chloropropyl)imidazole;hydrochloride
CID 75539477
3-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483592
1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione
CID 64874044
2-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]propan-2-amine
CID 114702568
3-bromo-1-(3-imidazol-1-ylpropyl)pyridin-2-one
CID 114761432

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64853790) is 1-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is c1cn(CCCn2cnc3c2CCNC3)cn1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is UNPIIHSLSCDXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1(5-16-7-4-14-9-16)6-17-10-15-11-8-13-3-2-12(11)17/h4,7,9-10,13H,1-3,5-6,8H2.
What are the key properties of 1-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 231.30 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64853790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).