5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydrobenzimidazol-2-one

C13H15N5O — CID 43644891

IUPAC5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1n[nH]c(C)c1CNc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H15N5O/c1-7-10(8(2)18-17-7)6-14-9-3-4-11-12(5-9)16-13(19)15-11/h3-5,14H,6H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyHGLJIUVMFOAEOK-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.81
Rot. Bonds3

About 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydrobenzimidazol-2-one

5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43644891) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID43644891
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1n[nH]c(C)c1CNc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H15N5O/c1-7-10(8(2)18-17-7)6-14-9-3-4-11-12(5-9)16-13(19)15-11/h3-5,14H,6H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyHGLJIUVMFOAEOK-UHFFFAOYSA-N
XLogP1.81
TPSA89.36 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_A(5)', 'substructure': 'N/A'}

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Related Compounds

5-[(2,4,6-trimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 28622210
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylaniline
CID 43644839
5-[(3,5-dimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 60688526
5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 755955
5-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one
CID 43709019
4-chloro-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-nitroaniline
CID 43719531
3-chloro-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-nitroaniline
CID 82864525
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline
CID 43644801
methyl 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]benzoate
CID 43645040
2-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
CID 43709887
3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline
CID 126820493
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43644780

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydrobenzimidazol-2-one (CID 43644891) is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydrobenzimidazol-2-one is Cc1n[nH]c(C)c1CNc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is HGLJIUVMFOAEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-7-10(8(2)18-17-7)6-14-9-3-4-11-12(5-9)16-13(19)15-11/h3-5,14H,6H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydrobenzimidazol-2-one?
5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 257.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43644891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).