(6-amino-2-methylbenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone

C13H13N5O — CID 112523699

IUPAC(6-amino-2-methylbenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)n2c(C)nc3ccc(N)cc32)n[nH]1
InChIInChI=1S/C13H13N5O/c1-7-5-11(17-16-7)13(19)18-8(2)15-10-4-3-9(14)6-12(10)18/h3-6H,14H2,1-2H3,(H,16,17)
InChIKeyPCCCEZQVVQZQCS-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.65
Rot. Bonds1

About (6-amino-2-methylbenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone

(6-amino-2-methylbenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 112523699) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is (6-amino-2-methylbenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(6-amino-2-methylbenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID112523699
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name(6-amino-2-methylbenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)n2c(C)nc3ccc(N)cc32)n[nH]1
InChIInChI=1S/C13H13N5O/c1-7-5-11(17-16-7)13(19)18-8(2)15-10-4-3-9(14)6-12(10)18/h3-6H,14H2,1-2H3,(H,16,17)
InChIKeyPCCCEZQVVQZQCS-UHFFFAOYSA-N
XLogP1.65
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-aminobenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 112528001
(6-amino-2-methylbenzimidazol-1-yl)-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone
CID 112523720
3-[[4-(6-amino-2-methylbenzimidazole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea
CID 112523740
(5-amino-2-methylbenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone
CID 112527679
[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 25287592
(5-amino-2-methylbenzimidazol-1-yl)-(1H-indol-6-yl)methanone
CID 112527634
(6-amino-2-methylbenzimidazol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone
CID 112523690
(4-ethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 53017422
2-methyl-3-phenylbenzimidazol-5-amine
CID 9115278
5-methyl-1H-pyrazole-3-carbonyl bromide
CID 167084964
ethyl N-[1-[2-(6-amino-2-methylbenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112523760
1-(4-methoxyphenyl)-3H-[1,2,4]triazolo[4,3-a]benzimidazol-7-amine
CID 82590328

Frequently Asked Questions

What is the IUPAC name of (6-amino-2-methylbenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of (6-amino-2-methylbenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone (CID 112523699) is (6-amino-2-methylbenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for (6-amino-2-methylbenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for (6-amino-2-methylbenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone is Cc1cc(C(=O)n2c(C)nc3ccc(N)cc32)n[nH]1.
What is the InChIKey of (6-amino-2-methylbenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is PCCCEZQVVQZQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-7-5-11(17-16-7)13(19)18-8(2)15-10-4-3-9(14)6-12(10)18/h3-6H,14H2,1-2H3,(H,16,17).
What are the key properties of (6-amino-2-methylbenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
(6-amino-2-methylbenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 255.28 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-methylbenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 112523699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).