2-(1-tert-butylbenzimidazol-2-yl)-4-methylaniline

C18H21N3 — CID 43142698

IUPAC2-(1-tert-butylbenzimidazol-2-yl)-4-methylaniline
SMILESCc1ccc(N)c(-c2nc3ccccc3n2C(C)(C)C)c1
InChIInChI=1S/C18H21N3/c1-12-9-10-14(19)13(11-12)17-20-15-7-5-6-8-16(15)21(17)18(2,3)4/h5-11H,19H2,1-4H3
InChIKeySVEOAARPGRGPOS-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.35
Rot. Bonds1

About 2-(1-tert-butylbenzimidazol-2-yl)-4-methylaniline

2-(1-tert-butylbenzimidazol-2-yl)-4-methylaniline (PubChem CID 43142698) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-(1-tert-butylbenzimidazol-2-yl)-4-methylaniline.

Molecular Properties

Compound Name2-(1-tert-butylbenzimidazol-2-yl)-4-methylaniline
PubChem CID43142698
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name2-(1-tert-butylbenzimidazol-2-yl)-4-methylaniline
SMILESCc1ccc(N)c(-c2nc3ccccc3n2C(C)(C)C)c1
InChIInChI=1S/C18H21N3/c1-12-9-10-14(19)13(11-12)17-20-15-7-5-6-8-16(15)21(17)18(2,3)4/h5-11H,19H2,1-4H3
InChIKeySVEOAARPGRGPOS-UHFFFAOYSA-N
XLogP4.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylbenzimidazol-2-yl)-4-methylaniline?
The IUPAC name of 2-(1-tert-butylbenzimidazol-2-yl)-4-methylaniline (CID 43142698) is 2-(1-tert-butylbenzimidazol-2-yl)-4-methylaniline.
What is the SMILES notation for 2-(1-tert-butylbenzimidazol-2-yl)-4-methylaniline?
The canonical SMILES for 2-(1-tert-butylbenzimidazol-2-yl)-4-methylaniline is Cc1ccc(N)c(-c2nc3ccccc3n2C(C)(C)C)c1.
What is the InChIKey of 2-(1-tert-butylbenzimidazol-2-yl)-4-methylaniline?
The InChIKey is SVEOAARPGRGPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-12-9-10-14(19)13(11-12)17-20-15-7-5-6-8-16(15)21(17)18(2,3)4/h5-11H,19H2,1-4H3.
What are the key properties of 2-(1-tert-butylbenzimidazol-2-yl)-4-methylaniline?
2-(1-tert-butylbenzimidazol-2-yl)-4-methylaniline has a molecular weight of 279.39 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylbenzimidazol-2-yl)-4-methylaniline is sourced from PubChem (CID 43142698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).