2-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-4-amine

C20H25N3 — CID 93215632

IUPAC2-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-4-amine
SMILESCC(C)c1ccc(Cn2c(C(C)C)nc3c(N)cccc32)cc1
InChIInChI=1S/C20H25N3/c1-13(2)16-10-8-15(9-11-16)12-23-18-7-5-6-17(21)19(18)22-20(23)14(3)4/h5-11,13-14H,12,21H2,1-4H3
InChIKeyPUMUBNRQVVZSPG-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.91
Rot. Bonds4

About 2-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-4-amine

2-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-4-amine (PubChem CID 93215632) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-4-amine.

Molecular Properties

Compound Name2-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-4-amine
PubChem CID93215632
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name2-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-4-amine
SMILESCC(C)c1ccc(Cn2c(C(C)C)nc3c(N)cccc32)cc1
InChIInChI=1S/C20H25N3/c1-13(2)16-10-8-15(9-11-16)12-23-18-7-5-6-17(21)19(18)22-20(23)14(3)4/h5-11,13-14H,12,21H2,1-4H3
InChIKeyPUMUBNRQVVZSPG-UHFFFAOYSA-N
XLogP4.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-4-amine
CID 82067478
2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide
CID 82067406
propyl 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetate
CID 82067422
(1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 950441
2-benzhydryl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 16987223
1-benzyl-2-propylbenzimidazol-4-amine
CID 82067310
2-pentan-3-yl-1-propylbenzimidazol-4-amine
CID 82067555
7-methyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-amine
CID 115552424
6-[(4-propan-2-ylphenyl)methyl]indolo[3,2-b]quinoxaline
CID 23411133
6-chloro-2-propan-2-yl-3-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-one
CID 114584954
2-[(4-chlorophenyl)methyl]-1-(methoxymethyl)benzimidazol-4-amine
CID 82068037
2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)acetic acid
CID 82067548

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-4-amine?
The IUPAC name of 2-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-4-amine (CID 93215632) is 2-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-4-amine.
What is the SMILES notation for 2-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-4-amine?
The canonical SMILES for 2-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-4-amine is CC(C)c1ccc(Cn2c(C(C)C)nc3c(N)cccc32)cc1.
What is the InChIKey of 2-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-4-amine?
The InChIKey is PUMUBNRQVVZSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-13(2)16-10-8-15(9-11-16)12-23-18-7-5-6-17(21)19(18)22-20(23)14(3)4/h5-11,13-14H,12,21H2,1-4H3.
What are the key properties of 2-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-4-amine?
2-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-4-amine has a molecular weight of 307.44 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-4-amine is sourced from PubChem (CID 93215632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).