N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)-3H-benzimidazol-5-yl]acetamide

C17H24N4O2 — CID 58885028

IUPACN-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)-3H-benzimidazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)[nH]c(=O)n2C1CCN(C(C)C)CC1
InChIInChI=1S/C17H24N4O2/c1-11(2)20-8-6-14(7-9-20)21-16-5-4-13(18-12(3)22)10-15(16)19-17(21)23/h4-5,10-11,14H,6-9H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyTZFMZQGAMHPOCW-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.33
Rot. Bonds3

About N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)-3H-benzimidazol-5-yl]acetamide

N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)-3H-benzimidazol-5-yl]acetamide (PubChem CID 58885028) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)-3H-benzimidazol-5-yl]acetamide
PubChem CID58885028
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)-3H-benzimidazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)[nH]c(=O)n2C1CCN(C(C)C)CC1
InChIInChI=1S/C17H24N4O2/c1-11(2)20-8-6-14(7-9-20)21-16-5-4-13(18-12(3)22)10-15(16)19-17(21)23/h4-5,10-11,14H,6-9H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyTZFMZQGAMHPOCW-UHFFFAOYSA-N
XLogP2.33
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one
CID 88638
5-(Acetoacetylamino)benzimidazolone
CID 117822
1-Ebio
CID 82320
1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazol-2-one
CID 75070
1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 1527023
5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 779710
Bimu 1
CID 9929033
1-(Propan-2-yl)-1,3-dihydro-2H-benzimidazol-2-one
CID 1653580
Itasetron
CID 6918106
1-[4-(4-phenylpiperazin-1-yl)butyl]-1H-benzo[d]imidazol-2(3H)-one
CID 23369455
1-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzo[d]imidazol-2(3H)-one
CID 23369457
3-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxobenzimidazole-1-carboxamide
CID 130946

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)-3H-benzimidazol-5-yl]acetamide (CID 58885028) is N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)-3H-benzimidazol-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)[nH]c(=O)n2C1CCN(C(C)C)CC1.
What is the InChIKey of N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)-3H-benzimidazol-5-yl]acetamide?
The InChIKey is TZFMZQGAMHPOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11(2)20-8-6-14(7-9-20)21-16-5-4-13(18-12(3)22)10-15(16)19-17(21)23/h4-5,10-11,14H,6-9H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)-3H-benzimidazol-5-yl]acetamide?
N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)-3H-benzimidazol-5-yl]acetamide has a molecular weight of 316.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 58885028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).