1-[5-(3,4-dihydropyrazol-2-yl)-3-pyridinyl]-3-methylbenzimidazol-2-one

C16H15N5O — CID 167056387

IUPAC1-[5-(3,4-dihydropyrazol-2-yl)-3-pyridinyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(-c2cncc(N3CCC=N3)c2)c2ccccc21
InChIInChI=1S/C16H15N5O/c1-19-14-5-2-3-6-15(14)21(16(19)22)13-9-12(10-17-11-13)20-8-4-7-18-20/h2-3,5-7,9-11H,4,8H2,1H3
InChIKeyAMSIYSKFCIKOHH-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.92
Rot. Bonds2

About 1-[5-(3,4-dihydropyrazol-2-yl)-3-pyridinyl]-3-methylbenzimidazol-2-one

1-[5-(3,4-dihydropyrazol-2-yl)-3-pyridinyl]-3-methylbenzimidazol-2-one (PubChem CID 167056387) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-[5-(3,4-dihydropyrazol-2-yl)-3-pyridinyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[5-(3,4-dihydropyrazol-2-yl)-3-pyridinyl]-3-methylbenzimidazol-2-one
PubChem CID167056387
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name1-[5-(3,4-dihydropyrazol-2-yl)-3-pyridinyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(-c2cncc(N3CCC=N3)c2)c2ccccc21
InChIInChI=1S/C16H15N5O/c1-19-14-5-2-3-6-15(14)21(16(19)22)13-9-12(10-17-11-13)20-8-4-7-18-20/h2-3,5-7,9-11H,4,8H2,1H3
InChIKeyAMSIYSKFCIKOHH-UHFFFAOYSA-N
XLogP1.92
TPSA55.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dihydropyrazol-2-yl)-3-pyridinyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[5-(3,4-dihydropyrazol-2-yl)-3-pyridinyl]-3-methylbenzimidazol-2-one (CID 167056387) is 1-[5-(3,4-dihydropyrazol-2-yl)-3-pyridinyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[5-(3,4-dihydropyrazol-2-yl)-3-pyridinyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[5-(3,4-dihydropyrazol-2-yl)-3-pyridinyl]-3-methylbenzimidazol-2-one is Cn1c(=O)n(-c2cncc(N3CCC=N3)c2)c2ccccc21.
What is the InChIKey of 1-[5-(3,4-dihydropyrazol-2-yl)-3-pyridinyl]-3-methylbenzimidazol-2-one?
The InChIKey is AMSIYSKFCIKOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-19-14-5-2-3-6-15(14)21(16(19)22)13-9-12(10-17-11-13)20-8-4-7-18-20/h2-3,5-7,9-11H,4,8H2,1H3.
What are the key properties of 1-[5-(3,4-dihydropyrazol-2-yl)-3-pyridinyl]-3-methylbenzimidazol-2-one?
1-[5-(3,4-dihydropyrazol-2-yl)-3-pyridinyl]-3-methylbenzimidazol-2-one has a molecular weight of 293.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dihydropyrazol-2-yl)-3-pyridinyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 167056387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).