1-benzyl-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-one;hydrochloride

C13H18ClN3O — CID 170910040

IUPAC1-benzyl-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-one;hydrochloride
SMILESCl.O=C1NC2CNCCC2N1Cc1ccccc1
InChIInChI=1S/C13H17N3O.ClH/c17-13-15-11-8-14-7-6-12(11)16(13)9-10-4-2-1-3-5-10;/h1-5,11-12,14H,6-9H2,(H,15,17);1H
InChIKeyWWJZQIUUNDGSCN-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.36
Rot. Bonds2

About 1-benzyl-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-one;hydrochloride

1-benzyl-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-one;hydrochloride (PubChem CID 170910040) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-benzyl-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name1-benzyl-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-one;hydrochloride
PubChem CID170910040
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-benzyl-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-one;hydrochloride
SMILESCl.O=C1NC2CNCCC2N1Cc1ccccc1
InChIInChI=1S/C13H17N3O.ClH/c17-13-15-11-8-14-7-6-12(11)16(13)9-10-4-2-1-3-5-10;/h1-5,11-12,14H,6-9H2,(H,15,17);1H
InChIKeyWWJZQIUUNDGSCN-UHFFFAOYSA-N
XLogP1.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-one;hydrochloride with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-one;hydrochloride?
The IUPAC name of 1-benzyl-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-one;hydrochloride (CID 170910040) is 1-benzyl-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-one;hydrochloride.
What is the SMILES notation for 1-benzyl-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-one;hydrochloride?
The canonical SMILES for 1-benzyl-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-one;hydrochloride is Cl.O=C1NC2CNCCC2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-one;hydrochloride?
The InChIKey is WWJZQIUUNDGSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O.ClH/c17-13-15-11-8-14-7-6-12(11)16(13)9-10-4-2-1-3-5-10;/h1-5,11-12,14H,6-9H2,(H,15,17);1H.
What are the key properties of 1-benzyl-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-one;hydrochloride?
1-benzyl-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-one;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-one;hydrochloride is sourced from PubChem (CID 170910040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).