4-[1-(6-methyl-1H-benzimidazol-2-yl)propan-2-yl]aniline

C17H19N3 — CID 104501898

IUPAC4-[1-(6-methyl-1H-benzimidazol-2-yl)propan-2-yl]aniline
SMILESCc1ccc2nc(CC(C)c3ccc(N)cc3)[nH]c2c1
InChIInChI=1S/C17H19N3/c1-11-3-8-15-16(9-11)20-17(19-15)10-12(2)13-4-6-14(18)7-5-13/h3-9,12H,10,18H2,1-2H3,(H,19,20)
InChIKeyYMMIMOZMVVEYRT-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.80
Rot. Bonds3

About 4-[1-(6-methyl-1H-benzimidazol-2-yl)propan-2-yl]aniline

4-[1-(6-methyl-1H-benzimidazol-2-yl)propan-2-yl]aniline (PubChem CID 104501898) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[1-(6-methyl-1H-benzimidazol-2-yl)propan-2-yl]aniline.

Molecular Properties

Compound Name4-[1-(6-methyl-1H-benzimidazol-2-yl)propan-2-yl]aniline
PubChem CID104501898
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name4-[1-(6-methyl-1H-benzimidazol-2-yl)propan-2-yl]aniline
SMILESCc1ccc2nc(CC(C)c3ccc(N)cc3)[nH]c2c1
InChIInChI=1S/C17H19N3/c1-11-3-8-15-16(9-11)20-17(19-15)10-12(2)13-4-6-14(18)7-5-13/h3-9,12H,10,18H2,1-2H3,(H,19,20)
InChIKeyYMMIMOZMVVEYRT-UHFFFAOYSA-N
XLogP3.80
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 19195701
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethanol
CID 102488846
methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 159476815
2-(2-naphthalen-2-ylpropyl)-1H-benzimidazole
CID 69480611
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
2-(propan-2-yloxymethyl)-3H-benzimidazol-5-amine
CID 112602881
N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 45040735
2-[(2,5-dimethylphenyl)sulfinylmethyl]-3H-benzimidazol-5-amine
CID 61303800
4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride
CID 45156250
methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 143560224
6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
CID 61371342
3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 43379497

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-methyl-1H-benzimidazol-2-yl)propan-2-yl]aniline?
The IUPAC name of 4-[1-(6-methyl-1H-benzimidazol-2-yl)propan-2-yl]aniline (CID 104501898) is 4-[1-(6-methyl-1H-benzimidazol-2-yl)propan-2-yl]aniline.
What is the SMILES notation for 4-[1-(6-methyl-1H-benzimidazol-2-yl)propan-2-yl]aniline?
The canonical SMILES for 4-[1-(6-methyl-1H-benzimidazol-2-yl)propan-2-yl]aniline is Cc1ccc2nc(CC(C)c3ccc(N)cc3)[nH]c2c1.
What is the InChIKey of 4-[1-(6-methyl-1H-benzimidazol-2-yl)propan-2-yl]aniline?
The InChIKey is YMMIMOZMVVEYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-11-3-8-15-16(9-11)20-17(19-15)10-12(2)13-4-6-14(18)7-5-13/h3-9,12H,10,18H2,1-2H3,(H,19,20).
What are the key properties of 4-[1-(6-methyl-1H-benzimidazol-2-yl)propan-2-yl]aniline?
4-[1-(6-methyl-1H-benzimidazol-2-yl)propan-2-yl]aniline has a molecular weight of 265.36 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-methyl-1H-benzimidazol-2-yl)propan-2-yl]aniline is sourced from PubChem (CID 104501898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).