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

C16H18N4 — CID 116952117

IUPAC4-[3H-benzimidazol-5-yl(methylamino)methyl]-N-methylaniline
SMILESCNc1ccc(C(NC)c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C16H18N4/c1-17-13-6-3-11(4-7-13)16(18-2)12-5-8-14-15(9-12)20-10-19-14/h3-10,16-18H,1-2H3,(H,19,20)
InChIKeyDFJRIWNIEHLZEP-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.91
Rot. Bonds4

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

4-[3H-benzimidazol-5-yl(methylamino)methyl]-N-methylaniline (PubChem CID 116952117) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-[3H-benzimidazol-5-yl(methylamino)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[3H-benzimidazol-5-yl(methylamino)methyl]-N-methylaniline
PubChem CID116952117
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name4-[3H-benzimidazol-5-yl(methylamino)methyl]-N-methylaniline
SMILESCNc1ccc(C(NC)c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C16H18N4/c1-17-13-6-3-11(4-7-13)16(18-2)12-5-8-14-15(9-12)20-10-19-14/h3-10,16-18H,1-2H3,(H,19,20)
InChIKeyDFJRIWNIEHLZEP-UHFFFAOYSA-N
XLogP2.91
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3H-benzimidazol-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 116947969
2-(3H-benzimidazol-5-yl)-2-(methylamino)acetaldehyde
CID 116954226
N-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide
CID 115161081
6-(dimethoxymethyl)-1H-benzimidazole
CID 141171021
6-pentan-3-yl-1H-benzimidazole
CID 134401277
1-(3H-benzimidazol-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 116831645
CID 157410638
CID 157410638
N-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine
CID 163537798
2-(3H-benzimidazol-5-yl)-2-(dimethylamino)ethanol
CID 116857291
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119840627
1-[3H-benzimidazol-5-yl(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958693
N-(2-methylpropyl)-3H-benzimidazol-5-amine
CID 67445159

Frequently Asked Questions

What is the IUPAC name of 4-[3H-benzimidazol-5-yl(methylamino)methyl]-N-methylaniline?
The IUPAC name of 4-[3H-benzimidazol-5-yl(methylamino)methyl]-N-methylaniline (CID 116952117) is 4-[3H-benzimidazol-5-yl(methylamino)methyl]-N-methylaniline.
What is the SMILES notation for 4-[3H-benzimidazol-5-yl(methylamino)methyl]-N-methylaniline?
The canonical SMILES for 4-[3H-benzimidazol-5-yl(methylamino)methyl]-N-methylaniline is CNc1ccc(C(NC)c2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of 4-[3H-benzimidazol-5-yl(methylamino)methyl]-N-methylaniline?
The InChIKey is DFJRIWNIEHLZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-17-13-6-3-11(4-7-13)16(18-2)12-5-8-14-15(9-12)20-10-19-14/h3-10,16-18H,1-2H3,(H,19,20).
What are the key properties of 4-[3H-benzimidazol-5-yl(methylamino)methyl]-N-methylaniline?
4-[3H-benzimidazol-5-yl(methylamino)methyl]-N-methylaniline has a molecular weight of 266.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3H-benzimidazol-5-yl(methylamino)methyl]-N-methylaniline is sourced from PubChem (CID 116952117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).