4-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]-N-methylaniline

C16H18N4 — CID 116936897

IUPAC4-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]-N-methylaniline
SMILESCNc1ccc(C(N)c2ccc3nc(C)[nH]c3c2)cc1
InChIInChI=1S/C16H18N4/c1-10-19-14-8-5-12(9-15(14)20-10)16(17)11-3-6-13(18-2)7-4-11/h3-9,16,18H,17H2,1-2H3,(H,19,20)
InChIKeyASDIEMAFDOXMNP-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.96
Rot. Bonds3

About 4-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]-N-methylaniline

4-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]-N-methylaniline (PubChem CID 116936897) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]-N-methylaniline
PubChem CID116936897
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name4-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]-N-methylaniline
SMILESCNc1ccc(C(N)c2ccc3nc(C)[nH]c3c2)cc1
InChIInChI=1S/C16H18N4/c1-10-19-14-8-5-12(9-15(14)20-10)16(17)11-3-6-13(18-2)7-4-11/h3-9,16,18H,17H2,1-2H3,(H,19,20)
InChIKeyASDIEMAFDOXMNP-UHFFFAOYSA-N
XLogP2.96
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116947494
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine
CID 82491804
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol
CID 116954709
2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine
CID 116947203
1-methoxy-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116961533
2-(methylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 116961662
1-methyl-2-(2-methyl-3H-benzimidazol-5-yl)hydrazine
CID 170206143
3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 116850693
[1-(methylaminomethyl)cyclopropyl]-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116943582
3-amino-3-(2-methyl-3H-benzimidazol-5-yl)propane-1-thiol
CID 116831290
3-amino-N'-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanehydrazide
CID 116849707

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]-N-methylaniline?
The IUPAC name of 4-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]-N-methylaniline (CID 116936897) is 4-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]-N-methylaniline.
What is the SMILES notation for 4-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]-N-methylaniline?
The canonical SMILES for 4-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]-N-methylaniline is CNc1ccc(C(N)c2ccc3nc(C)[nH]c3c2)cc1.
What is the InChIKey of 4-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]-N-methylaniline?
The InChIKey is ASDIEMAFDOXMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-10-19-14-8-5-12(9-15(14)20-10)16(17)11-3-6-13(18-2)7-4-11/h3-9,16,18H,17H2,1-2H3,(H,19,20).
What are the key properties of 4-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]-N-methylaniline?
4-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]-N-methylaniline has a molecular weight of 266.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]-N-methylaniline is sourced from PubChem (CID 116936897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).