5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one

C18H21N5O2 — CID 56779543

IUPAC5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(C)n(CC2CCCN2C(=O)c2ccc3[nH]c(=O)[nH]c3c2)n1
InChIInChI=1S/C18H21N5O2/c1-11-8-12(2)23(21-11)10-14-4-3-7-22(14)17(24)13-5-6-15-16(9-13)20-18(25)19-15/h5-6,8-9,14H,3-4,7,10H2,1-2H3,(H2,19,20,25)
InChIKeyLAYRPMNCPUTEIT-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.97
Rot. Bonds3

About 5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one

5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 56779543) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID56779543
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(C)n(CC2CCCN2C(=O)c2ccc3[nH]c(=O)[nH]c3c2)n1
InChIInChI=1S/C18H21N5O2/c1-11-8-12(2)23(21-11)10-14-4-3-7-22(14)17(24)13-5-6-15-16(9-13)20-18(25)19-15/h5-6,8-9,14H,3-4,7,10H2,1-2H3,(H2,19,20,25)
InChIKeyLAYRPMNCPUTEIT-UHFFFAOYSA-N
XLogP1.97
TPSA86.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one (CID 56779543) is 5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one is Cc1cc(C)n(CC2CCCN2C(=O)c2ccc3[nH]c(=O)[nH]c3c2)n1.
What is the InChIKey of 5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is LAYRPMNCPUTEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-11-8-12(2)23(21-11)10-14-4-3-7-22(14)17(24)13-5-6-15-16(9-13)20-18(25)19-15/h5-6,8-9,14H,3-4,7,10H2,1-2H3,(H2,19,20,25).
What are the key properties of 5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 339.40 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 56779543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).