5-[[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one

C20H16N6O — CID 70772498

IUPAC5-[[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(CNc3cc(-c4ccccc4)nc4ccnn34)cc2[nH]1
InChIInChI=1S/C20H16N6O/c27-20-24-15-7-6-13(10-17(15)25-20)12-21-19-11-16(14-4-2-1-3-5-14)23-18-8-9-22-26(18)19/h1-11,21H,12H2,(H2,24,25,27)
InChIKeyHZUZKSORWDJJSA-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.18
Rot. Bonds4

About 5-[[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one

5-[[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 70772498) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is 5-[[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID70772498
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name5-[[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(CNc3cc(-c4ccccc4)nc4ccnn34)cc2[nH]1
InChIInChI=1S/C20H16N6O/c27-20-24-15-7-6-13(10-17(15)25-20)12-21-19-11-16(14-4-2-1-3-5-14)23-18-8-9-22-26(18)19/h1-11,21H,12H2,(H2,24,25,27)
InChIKeyHZUZKSORWDJJSA-UHFFFAOYSA-N
XLogP3.18
TPSA90.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-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

Related Compounds

N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70787447
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70734186
5-phenyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56899654
5-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70785677
1-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
CID 56884548
N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56902858
5-pyridin-4-yl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56888871
5-[[5-(benzylamino)-3-pyridinyl]methyl]-1,3-dihydrobenzimidazol-2-one
CID 154976770
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
CID 129398655
1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775421
5-(4-fluorophenyl)-N-[(4-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56885537
(3S)-3-phenyl-3-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 95885389

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one (CID 70772498) is 5-[[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(CNc3cc(-c4ccccc4)nc4ccnn34)cc2[nH]1.
What is the InChIKey of 5-[[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is HZUZKSORWDJJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O/c27-20-24-15-7-6-13(10-17(15)25-20)12-21-19-11-16(14-4-2-1-3-5-14)23-18-8-9-22-26(18)19/h1-11,21H,12H2,(H2,24,25,27).
What are the key properties of 5-[[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one?
5-[[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 356.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 70772498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).