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

C18H21N5O2 — CID 56779069

IUPAC5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cnn(CC2CCCCN2C(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C18H21N5O2/c1-12-9-19-22(10-12)11-14-4-2-3-7-23(14)17(24)13-5-6-15-16(8-13)21-18(25)20-15/h5-6,8-10,14H,2-4,7,11H2,1H3,(H2,20,21,25)
InChIKeyDDXJTCZXWJVTIA-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.06
Rot. Bonds3

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

5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 56779069) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID56779069
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cnn(CC2CCCCN2C(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C18H21N5O2/c1-12-9-19-22(10-12)11-14-4-2-3-7-23(14)17(24)13-5-6-15-16(8-13)21-18(25)20-15/h5-6,8-10,14H,2-4,7,11H2,1H3,(H2,20,21,25)
InChIKeyDDXJTCZXWJVTIA-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
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]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one (CID 56779069) is 5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one is Cc1cnn(CC2CCCCN2C(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1.
What is the InChIKey of 5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is DDXJTCZXWJVTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-9-19-22(10-12)11-14-4-2-3-7-23(14)17(24)13-5-6-15-16(8-13)21-18(25)20-15/h5-6,8-10,14H,2-4,7,11H2,1H3,(H2,20,21,25).
What are the key properties of 5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 339.40 g/mol, XLogP of 2.06, 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]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 56779069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).