4-methyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one

C15H21N3O — CID 117208652

IUPAC4-methyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
SMILESCc1cccc2[nH]c(=O)n(CC3CCN(C)CC3)c12
InChIInChI=1S/C15H21N3O/c1-11-4-3-5-13-14(11)18(15(19)16-13)10-12-6-8-17(2)9-7-12/h3-5,12H,6-10H2,1-2H3,(H,16,19)
InChIKeyLWBYBVWJZBBFEK-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.98
Rot. Bonds2

About 4-methyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one

4-methyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one (PubChem CID 117208652) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-methyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
PubChem CID117208652
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-methyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
SMILESCc1cccc2[nH]c(=O)n(CC3CCN(C)CC3)c12
InChIInChI=1S/C15H21N3O/c1-11-4-3-5-13-14(11)18(15(19)16-13)10-12-6-8-17(2)9-7-12/h3-5,12H,6-10H2,1-2H3,(H,16,19)
InChIKeyLWBYBVWJZBBFEK-UHFFFAOYSA-N
XLogP1.98
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117208678
4-methyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazole-2-thione
CID 115551819
4-bromo-3-[(1-methylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one
CID 117208626
3-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117208607
3-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-1H-benzimidazol-2-one
CID 117208821
4-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117208684
3-[(1-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117208899
4-methoxy-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one
CID 117208672
3-(cyclopropylmethyl)-1H-benzimidazol-2-one
CID 57436030
3-(1-ethylpiperidin-4-yl)-4-methyl-1H-benzimidazol-2-one
CID 117208577
3-[(1,1-dioxothian-4-yl)methyl]-7-methyl-1H-benzimidazol-2-one
CID 117206250
6-chloro-5-ethyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione
CID 113404592

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one?
The IUPAC name of 4-methyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one (CID 117208652) is 4-methyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 4-methyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 4-methyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one is Cc1cccc2[nH]c(=O)n(CC3CCN(C)CC3)c12.
What is the InChIKey of 4-methyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one?
The InChIKey is LWBYBVWJZBBFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-4-3-5-13-14(11)18(15(19)16-13)10-12-6-8-17(2)9-7-12/h3-5,12H,6-10H2,1-2H3,(H,16,19).
What are the key properties of 4-methyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one?
4-methyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 117208652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).