5-N-[(1-ethylpyrazol-4-yl)methyl]-2-N,2-N-dimethyl-3H-benzimidazole-2,5-diamine

C15H20N6 — CID 126820486

IUPAC5-N-[(1-ethylpyrazol-4-yl)methyl]-2-N,2-N-dimethyl-3H-benzimidazole-2,5-diamine
SMILESCCn1cc(CNc2ccc3nc(N(C)C)[nH]c3c2)cn1
InChIInChI=1S/C15H20N6/c1-4-21-10-11(9-17-21)8-16-12-5-6-13-14(7-12)19-15(18-13)20(2)3/h5-7,9-10,16H,4,8H2,1-3H3,(H,18,19)
InChIKeyIWRCTSCRPBXGPD-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.46
Rot. Bonds5

About 5-N-[(1-ethylpyrazol-4-yl)methyl]-2-N,2-N-dimethyl-3H-benzimidazole-2,5-diamine

5-N-[(1-ethylpyrazol-4-yl)methyl]-2-N,2-N-dimethyl-3H-benzimidazole-2,5-diamine (PubChem CID 126820486) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 5-N-[(1-ethylpyrazol-4-yl)methyl]-2-N,2-N-dimethyl-3H-benzimidazole-2,5-diamine.

Molecular Properties

Compound Name5-N-[(1-ethylpyrazol-4-yl)methyl]-2-N,2-N-dimethyl-3H-benzimidazole-2,5-diamine
PubChem CID126820486
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name5-N-[(1-ethylpyrazol-4-yl)methyl]-2-N,2-N-dimethyl-3H-benzimidazole-2,5-diamine
SMILESCCn1cc(CNc2ccc3nc(N(C)C)[nH]c3c2)cn1
InChIInChI=1S/C15H20N6/c1-4-21-10-11(9-17-21)8-16-12-5-6-13-14(7-12)19-15(18-13)20(2)3/h5-7,9-10,16H,4,8H2,1-3H3,(H,18,19)
InChIKeyIWRCTSCRPBXGPD-UHFFFAOYSA-N
XLogP2.46
TPSA61.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-[(1-ethylpyrazol-4-yl)methyl]-2-N,2-N-dimethyl-3H-benzimidazole-2,5-diamine with MolForge

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-1H-indazol-6-amine
CID 103569324
1-N-[(1-ethylpyrazol-4-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378214
2-N,2-N-dimethyl-5-N-[(3-methyltriazol-4-yl)methyl]-3H-benzimidazole-2,5-diamine
CID 126820488
3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62126887
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62125641
5-[(1-ethylpyrazol-4-yl)methylamino]isoindole-1,3-dione
CID 103569190
N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline
CID 62127247
4-[4-[[[2-(dimethylamino)-3H-benzimidazol-5-yl]amino]methyl]phenyl]oxane-4-carbonitrile
CID 129228328
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxyaniline
CID 71982518
N-[(1-ethylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 103818746
3-(diethylaminomethyl)-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 103720547
N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine
CID 62128287

Frequently Asked Questions

What is the IUPAC name of 5-N-[(1-ethylpyrazol-4-yl)methyl]-2-N,2-N-dimethyl-3H-benzimidazole-2,5-diamine?
The IUPAC name of 5-N-[(1-ethylpyrazol-4-yl)methyl]-2-N,2-N-dimethyl-3H-benzimidazole-2,5-diamine (CID 126820486) is 5-N-[(1-ethylpyrazol-4-yl)methyl]-2-N,2-N-dimethyl-3H-benzimidazole-2,5-diamine.
What is the SMILES notation for 5-N-[(1-ethylpyrazol-4-yl)methyl]-2-N,2-N-dimethyl-3H-benzimidazole-2,5-diamine?
The canonical SMILES for 5-N-[(1-ethylpyrazol-4-yl)methyl]-2-N,2-N-dimethyl-3H-benzimidazole-2,5-diamine is CCn1cc(CNc2ccc3nc(N(C)C)[nH]c3c2)cn1.
What is the InChIKey of 5-N-[(1-ethylpyrazol-4-yl)methyl]-2-N,2-N-dimethyl-3H-benzimidazole-2,5-diamine?
The InChIKey is IWRCTSCRPBXGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-4-21-10-11(9-17-21)8-16-12-5-6-13-14(7-12)19-15(18-13)20(2)3/h5-7,9-10,16H,4,8H2,1-3H3,(H,18,19).
What are the key properties of 5-N-[(1-ethylpyrazol-4-yl)methyl]-2-N,2-N-dimethyl-3H-benzimidazole-2,5-diamine?
5-N-[(1-ethylpyrazol-4-yl)methyl]-2-N,2-N-dimethyl-3H-benzimidazole-2,5-diamine has a molecular weight of 284.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(1-ethylpyrazol-4-yl)methyl]-2-N,2-N-dimethyl-3H-benzimidazole-2,5-diamine is sourced from PubChem (CID 126820486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).