3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride

C13H18ClN3O — CID 70537515

IUPAC3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
SMILESCN1CCC(n2c(=O)[nH]c3ccccc32)CC1.Cl
InChIInChI=1S/C13H17N3O.ClH/c1-15-8-6-10(7-9-15)16-12-5-3-2-4-11(12)14-13(16)17;/h2-5,10H,6-9H2,1H3,(H,14,17);1H
InChIKeyKMVWVNVPOVUJAA-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.02
Rot. Bonds1

About 3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride

3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride (PubChem CID 70537515) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
PubChem CID70537515
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
SMILESCN1CCC(n2c(=O)[nH]c3ccccc32)CC1.Cl
InChIInChI=1S/C13H17N3O.ClH/c1-15-8-6-10(7-9-15)16-12-5-3-2-4-11(12)14-13(16)17;/h2-5,10H,6-9H2,1H3,(H,14,17);1H
InChIKeyKMVWVNVPOVUJAA-UHFFFAOYSA-N
XLogP2.02
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 58863178
CID 91445374
CID 91445374
3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
CID 70115038
3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 139765668
3-(4-aminocyclohexyl)-1H-benzimidazol-2-one
CID 23092402
3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755
3-[1-[3-[ethyl(methyl)amino]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968531
3-[1-[(2-methylcyclopropyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968394
3-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968593
N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 51078345
4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde
CID 21471554
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride (CID 70537515) is 3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride is CN1CCC(n2c(=O)[nH]c3ccccc32)CC1.Cl.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride?
The InChIKey is KMVWVNVPOVUJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O.ClH/c1-15-8-6-10(7-9-15)16-12-5-3-2-4-11(12)14-13(16)17;/h2-5,10H,6-9H2,1H3,(H,14,17);1H.
What are the key properties of 3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride?
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride is sourced from PubChem (CID 70537515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).