7-methoxy-1-piperidin-4-ylbenzimidazole;hydrochloride

C13H18ClN3O — CID 91798531

IUPAC7-methoxy-1-piperidin-4-ylbenzimidazole;hydrochloride
SMILESCOc1cccc2ncn(C3CCNCC3)c12.Cl
InChIInChI=1S/C13H17N3O.ClH/c1-17-12-4-2-3-11-13(12)16(9-15-11)10-5-7-14-8-6-10;/h2-4,9-10,14H,5-8H2,1H3;1H
InChIKeyBXIWQFNXASPZAK-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.39
Rot. Bonds2

About 7-methoxy-1-piperidin-4-ylbenzimidazole;hydrochloride

7-methoxy-1-piperidin-4-ylbenzimidazole;hydrochloride (PubChem CID 91798531) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 7-methoxy-1-piperidin-4-ylbenzimidazole;hydrochloride.

Molecular Properties

Compound Name7-methoxy-1-piperidin-4-ylbenzimidazole;hydrochloride
PubChem CID91798531
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name7-methoxy-1-piperidin-4-ylbenzimidazole;hydrochloride
SMILESCOc1cccc2ncn(C3CCNCC3)c12.Cl
InChIInChI=1S/C13H17N3O.ClH/c1-17-12-4-2-3-11-13(12)16(9-15-11)10-5-7-14-8-6-10;/h2-4,9-10,14H,5-8H2,1H3;1H
InChIKeyBXIWQFNXASPZAK-UHFFFAOYSA-N
XLogP2.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-piperidin-4-ylbenzimidazole;hydrochloride?
The IUPAC name of 7-methoxy-1-piperidin-4-ylbenzimidazole;hydrochloride (CID 91798531) is 7-methoxy-1-piperidin-4-ylbenzimidazole;hydrochloride.
What is the SMILES notation for 7-methoxy-1-piperidin-4-ylbenzimidazole;hydrochloride?
The canonical SMILES for 7-methoxy-1-piperidin-4-ylbenzimidazole;hydrochloride is COc1cccc2ncn(C3CCNCC3)c12.Cl.
What is the InChIKey of 7-methoxy-1-piperidin-4-ylbenzimidazole;hydrochloride?
The InChIKey is BXIWQFNXASPZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O.ClH/c1-17-12-4-2-3-11-13(12)16(9-15-11)10-5-7-14-8-6-10;/h2-4,9-10,14H,5-8H2,1H3;1H.
What are the key properties of 7-methoxy-1-piperidin-4-ylbenzimidazole;hydrochloride?
7-methoxy-1-piperidin-4-ylbenzimidazole;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-piperidin-4-ylbenzimidazole;hydrochloride is sourced from PubChem (CID 91798531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).