2-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-3H-benzimidazol-5-amine

C15H20N6 — CID 61438668

IUPAC2-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-3H-benzimidazol-5-amine
SMILESCN(CCc1nc2ccc(N)cc2[nH]1)Cc1cnn(C)c1
InChIInChI=1S/C15H20N6/c1-20(9-11-8-17-21(2)10-11)6-5-15-18-13-4-3-12(16)7-14(13)19-15/h3-4,7-8,10H,5-6,9,16H2,1-2H3,(H,18,19)
InChIKeyBXGOQWVCFBSGEL-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.55
Rot. Bonds5

About 2-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-3H-benzimidazol-5-amine

2-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-3H-benzimidazol-5-amine (PubChem CID 61438668) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 2-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-3H-benzimidazol-5-amine
PubChem CID61438668
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name2-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-3H-benzimidazol-5-amine
SMILESCN(CCc1nc2ccc(N)cc2[nH]1)Cc1cnn(C)c1
InChIInChI=1S/C15H20N6/c1-20(9-11-8-17-21(2)10-11)6-5-15-18-13-4-3-12(16)7-14(13)19-15/h3-4,7-8,10H,5-6,9,16H2,1-2H3,(H,18,19)
InChIKeyBXGOQWVCFBSGEL-UHFFFAOYSA-N
XLogP1.55
TPSA75.76 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 ≤ 51.55
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-[2-[cyclohexylmethyl(methyl)amino]ethyl]-3H-benzimidazol-5-amine
CID 61443744
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-1,3-benzoxazole-2,6-diamine
CID 79893044
2-[[(4-fluorophenyl)methyl-methylamino]methyl]-3H-benzimidazol-5-amine
CID 43575003
2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]-3H-benzimidazol-5-amine
CID 61431016
2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine
CID 43513808
2-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-amine
CID 28742910
1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 122566230
N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991418
4-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-yl]aniline
CID 104501541
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
3-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propoxy]aniline
CID 61438287
2-(1-methylpyrazol-4-yl)oxy-3H-benzimidazol-5-amine
CID 116792483

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-3H-benzimidazol-5-amine (CID 61438668) is 2-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-3H-benzimidazol-5-amine is CN(CCc1nc2ccc(N)cc2[nH]1)Cc1cnn(C)c1.
What is the InChIKey of 2-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-3H-benzimidazol-5-amine?
The InChIKey is BXGOQWVCFBSGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-20(9-11-8-17-21(2)10-11)6-5-15-18-13-4-3-12(16)7-14(13)19-15/h3-4,7-8,10H,5-6,9,16H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-3H-benzimidazol-5-amine?
2-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-3H-benzimidazol-5-amine has a molecular weight of 284.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 61438668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).