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

C18H21N3 — CID 82939905

IUPAC4-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)propan-2-yl]aniline
SMILESCc1cc(C)c2nc(C(C)(C)c3ccc(N)cc3)[nH]c2c1
InChIInChI=1S/C18H21N3/c1-11-9-12(2)16-15(10-11)20-17(21-16)18(3,4)13-5-7-14(19)8-6-13/h5-10H,19H2,1-4H3,(H,20,21)
InChIKeyWZZWEIVLPUCMMS-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.09
Rot. Bonds2

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

4-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)propan-2-yl]aniline (PubChem CID 82939905) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)propan-2-yl]aniline.

Molecular Properties

Compound Name4-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)propan-2-yl]aniline
PubChem CID82939905
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name4-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)propan-2-yl]aniline
SMILESCc1cc(C)c2nc(C(C)(C)c3ccc(N)cc3)[nH]c2c1
InChIInChI=1S/C18H21N3/c1-11-9-12(2)16-15(10-11)20-17(21-16)18(3,4)13-5-7-14(19)8-6-13/h5-10H,19H2,1-4H3,(H,20,21)
InChIKeyWZZWEIVLPUCMMS-UHFFFAOYSA-N
XLogP4.09
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)propan-2-yl]aniline?
The IUPAC name of 4-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)propan-2-yl]aniline (CID 82939905) is 4-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)propan-2-yl]aniline.
What is the SMILES notation for 4-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)propan-2-yl]aniline?
The canonical SMILES for 4-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)propan-2-yl]aniline is Cc1cc(C)c2nc(C(C)(C)c3ccc(N)cc3)[nH]c2c1.
What is the InChIKey of 4-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)propan-2-yl]aniline?
The InChIKey is WZZWEIVLPUCMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-11-9-12(2)16-15(10-11)20-17(21-16)18(3,4)13-5-7-14(19)8-6-13/h5-10H,19H2,1-4H3,(H,20,21).
What are the key properties of 4-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)propan-2-yl]aniline?
4-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)propan-2-yl]aniline has a molecular weight of 279.39 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)propan-2-yl]aniline is sourced from PubChem (CID 82939905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).