5-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-1,3-dihydrobenzimidazol-2-one

C19H14N6O2 — CID 134144799

IUPAC5-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-1,3-dihydrobenzimidazol-2-one
SMILESNc1c(C(=O)c2cc3ccccc3[nH]2)cnn1-c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H14N6O2/c20-18-12(17(26)16-7-10-3-1-2-4-13(10)22-16)9-21-25(18)11-5-6-14-15(8-11)24-19(27)23-14/h1-9,22H,20H2,(H2,23,24,27)
InChIKeyNCPGRDOVYIYSQY-UHFFFAOYSA-N
MW358.36 g/mol
LogP2.34
Rot. Bonds3

About 5-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-1,3-dihydrobenzimidazol-2-one

5-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 134144799) has the molecular formula C19H14N6O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is 5-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID134144799
Molecular FormulaC19H14N6O2
Molecular Weight358.36 g/mol
Exact Mass358.12
IUPAC Name5-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-1,3-dihydrobenzimidazol-2-one
SMILESNc1c(C(=O)c2cc3ccccc3[nH]2)cnn1-c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H14N6O2/c20-18-12(17(26)16-7-10-3-1-2-4-13(10)22-16)9-21-25(18)11-5-6-14-15(8-11)24-19(27)23-14/h1-9,22H,20H2,(H2,23,24,27)
InChIKeyNCPGRDOVYIYSQY-UHFFFAOYSA-N
XLogP2.34
TPSA125.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

Zoligratinib
CID 66555680
2-(1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide
CID 44596891
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 50939489
[5-amino-1-(2-ethyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
CID 66555232
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-bromo-1H-indol-2-yl)methanone
CID 66556938
[5-amino-1-(2-methyl-1H-benzimidazol-5-yl)-1H-pyrazol-4-yl]-(6-morpholin-4-ylmethyl-1H-indol-2-yl)-methanone
CID 68004741
[5-amino-1-(2-methyl-1H-benzimidazol-5-yl)-1H-pyrazol-4-yl]-(5-morpholin-4-ylmethyl-1H-indol-2-yl)-methanone
CID 68005465
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-phenyl-1H-indol-2-yl)methanone
CID 68005486
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[(4,4-difluoropiperidin-1-yl)methyl]-1H-indol-2-yl]methanone
CID 68005621
[5-amino-1-(1H-benzimidazol-6-yl)-1H-pyrazol-4-yl]-1H-indol-2-ylMethanone
CID 68005732
[5-amino-1-(1H-indol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
CID 134146580
[5-amino-1-(2-methyl-1H-indol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
CID 134155961

Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-1,3-dihydrobenzimidazol-2-one (CID 134144799) is 5-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-1,3-dihydrobenzimidazol-2-one is Nc1c(C(=O)c2cc3ccccc3[nH]2)cnn1-c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is NCPGRDOVYIYSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O2/c20-18-12(17(26)16-7-10-3-1-2-4-13(10)22-16)9-21-25(18)11-5-6-14-15(8-11)24-19(27)23-14/h1-9,22H,20H2,(H2,23,24,27).
What are the key properties of 5-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-1,3-dihydrobenzimidazol-2-one?
5-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 358.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 134144799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).