(2-aminobenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone

C12H11N5O — CID 112528001

IUPAC(2-aminobenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)n2c(N)nc3ccccc32)n[nH]1
InChIInChI=1S/C12H11N5O/c1-7-6-9(16-15-7)11(18)17-10-5-3-2-4-8(10)14-12(17)13/h2-6H,1H3,(H2,13,14)(H,15,16)
InChIKeyINJNCGCDWIVJCP-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.34
Rot. Bonds1

About (2-aminobenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone

(2-aminobenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 112528001) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is (2-aminobenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2-aminobenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID112528001
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name(2-aminobenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)n2c(N)nc3ccccc32)n[nH]1
InChIInChI=1S/C12H11N5O/c1-7-6-9(16-15-7)11(18)17-10-5-3-2-4-8(10)14-12(17)13/h2-6H,1H3,(H2,13,14)(H,15,16)
InChIKeyINJNCGCDWIVJCP-UHFFFAOYSA-N
XLogP1.34
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6-amino-2-methylbenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 112523699
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(2-aminobenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone
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1-(2-aminobenzimidazol-1-yl)-2,2-dimethylpropan-1-one
CID 87845510
(2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone
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[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 94640308
[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 25287592
4-(2-aminobenzimidazol-1-yl)-4-oxobutanoic acid
CID 96582906
1-(2-aminobenzimidazol-1-yl)hexa-2,4-dien-1-one
CID 54137227
2-amino-N-(1H-benzimidazol-2-yl)benzimidazole-1-carboxamide
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3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20918269

Frequently Asked Questions

What is the IUPAC name of (2-aminobenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of (2-aminobenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone (CID 112528001) is (2-aminobenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for (2-aminobenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for (2-aminobenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone is Cc1cc(C(=O)n2c(N)nc3ccccc32)n[nH]1.
What is the InChIKey of (2-aminobenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is INJNCGCDWIVJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-7-6-9(16-15-7)11(18)17-10-5-3-2-4-8(10)14-12(17)13/h2-6H,1H3,(H2,13,14)(H,15,16).
What are the key properties of (2-aminobenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
(2-aminobenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 241.25 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminobenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 112528001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).