4-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

C11H15N5 — CID 165470305

IUPAC4-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCCn1cncc1C1NCCc2[nH]cnc21
InChIInChI=1S/C11H15N5/c1-2-16-7-12-5-9(16)11-10-8(3-4-13-11)14-6-15-10/h5-7,11,13H,2-4H2,1H3,(H,14,15)
InChIKeyMFTXHMXAZUIONQ-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.86
Rot. Bonds2

About 4-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

4-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 165470305) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 4-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PubChem CID165470305
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name4-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCCn1cncc1C1NCCc2[nH]cnc21
InChIInChI=1S/C11H15N5/c1-2-16-7-12-5-9(16)11-10-8(3-4-13-11)14-6-15-10/h5-7,11,13H,2-4H2,1H3,(H,14,15)
InChIKeyMFTXHMXAZUIONQ-UHFFFAOYSA-N
XLogP0.86
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 95119951
(4S)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 95119952
1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
9-ethyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]carbazole
CID 95141152
4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;trihydrochloride
CID 70610857
(4R)-4-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 1491370
(4R)-4-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 95127660
(4S)-4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 40803405
N-benzyl-5-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]pyrimidin-2-amine
CID 95220632
ethyl (4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate
CID 124518603
4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;hydrate
CID 47000675
2-[[2,3-dibromo-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane
CID 53239247

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CID 165470305) is 4-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is CCn1cncc1C1NCCc2[nH]cnc21.
What is the InChIKey of 4-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is MFTXHMXAZUIONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-2-16-7-12-5-9(16)11-10-8(3-4-13-11)14-6-15-10/h5-7,11,13H,2-4H2,1H3,(H,14,15).
What are the key properties of 4-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
4-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 217.28 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 165470305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).