3-cyclopropyl-5-piperidin-4-yl-1H-benzimidazol-2-one

C15H19N3O — CID 177302345

IUPAC3-cyclopropyl-5-piperidin-4-yl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(C3CCNCC3)cc2n1C1CC1
InChIInChI=1S/C15H19N3O/c19-15-17-13-4-1-11(10-5-7-16-8-6-10)9-14(13)18(15)12-2-3-12/h1,4,9-10,12,16H,2-3,5-8H2,(H,17,19)
InChIKeyVMSDAVSJJLCPMZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.13
Rot. Bonds2

About 3-cyclopropyl-5-piperidin-4-yl-1H-benzimidazol-2-one

3-cyclopropyl-5-piperidin-4-yl-1H-benzimidazol-2-one (PubChem CID 177302345) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-cyclopropyl-5-piperidin-4-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-cyclopropyl-5-piperidin-4-yl-1H-benzimidazol-2-one
PubChem CID177302345
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-cyclopropyl-5-piperidin-4-yl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(C3CCNCC3)cc2n1C1CC1
InChIInChI=1S/C15H19N3O/c19-15-17-13-4-1-11(10-5-7-16-8-6-10)9-14(13)18(15)12-2-3-12/h1,4,9-10,12,16H,2-3,5-8H2,(H,17,19)
InChIKeyVMSDAVSJJLCPMZ-UHFFFAOYSA-N
XLogP2.13
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 22928792
3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 139765668
5-cyclopropyl-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
CID 68625545
6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 83415288
6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 22380614
6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 70537571
3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one
CID 117208462
6-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 59850210
3-cyclopropyl-5,6-difluoro-1H-benzimidazol-2-one
CID 66693552
5-(4-fluorophenoxy)-3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
CID 142429531
1-piperidin-4-yl-3H-imidazo[4,5-c]pyridin-2-one;hydrobromide
CID 122236400
6-chloro-3-piperidin-4-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one
CID 59850158

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-piperidin-4-yl-1H-benzimidazol-2-one?
The IUPAC name of 3-cyclopropyl-5-piperidin-4-yl-1H-benzimidazol-2-one (CID 177302345) is 3-cyclopropyl-5-piperidin-4-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-cyclopropyl-5-piperidin-4-yl-1H-benzimidazol-2-one?
The canonical SMILES for 3-cyclopropyl-5-piperidin-4-yl-1H-benzimidazol-2-one is O=c1[nH]c2ccc(C3CCNCC3)cc2n1C1CC1.
What is the InChIKey of 3-cyclopropyl-5-piperidin-4-yl-1H-benzimidazol-2-one?
The InChIKey is VMSDAVSJJLCPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c19-15-17-13-4-1-11(10-5-7-16-8-6-10)9-14(13)18(15)12-2-3-12/h1,4,9-10,12,16H,2-3,5-8H2,(H,17,19).
What are the key properties of 3-cyclopropyl-5-piperidin-4-yl-1H-benzimidazol-2-one?
3-cyclopropyl-5-piperidin-4-yl-1H-benzimidazol-2-one has a molecular weight of 257.34 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-piperidin-4-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 177302345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).