5-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one

C17H19N5O2 — CID 56779397

IUPAC5-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cnn(CC2CCCN2C(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C17H19N5O2/c1-11-8-18-21(9-11)10-13-3-2-6-22(13)16(23)12-4-5-14-15(7-12)20-17(24)19-14/h4-5,7-9,13H,2-3,6,10H2,1H3,(H2,19,20,24)
InChIKeyXDNIPIXGJHRUHN-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.67
Rot. Bonds3

About 5-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one

5-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 56779397) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID56779397
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name5-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cnn(CC2CCCN2C(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C17H19N5O2/c1-11-8-18-21(9-11)10-13-3-2-6-22(13)16(23)12-4-5-14-15(7-12)20-17(24)19-14/h4-5,7-9,13H,2-3,6,10H2,1H3,(H2,19,20,24)
InChIKeyXDNIPIXGJHRUHN-UHFFFAOYSA-N
XLogP1.67
TPSA86.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one (CID 56779397) is 5-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one is Cc1cnn(CC2CCCN2C(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1.
What is the InChIKey of 5-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is XDNIPIXGJHRUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-8-18-21(9-11)10-13-3-2-6-22(13)16(23)12-4-5-14-15(7-12)20-17(24)19-14/h4-5,7-9,13H,2-3,6,10H2,1H3,(H2,19,20,24).
What are the key properties of 5-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
5-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 325.37 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 56779397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).