2-(2-methylpropyl)-1-(2-phenylethyl)benzimidazol-4-amine

C19H23N3 — CID 82067691

IUPAC2-(2-methylpropyl)-1-(2-phenylethyl)benzimidazol-4-amine
SMILESCC(C)Cc1nc2c(N)cccc2n1CCc1ccccc1
InChIInChI=1S/C19H23N3/c1-14(2)13-18-21-19-16(20)9-6-10-17(19)22(18)12-11-15-7-4-3-5-8-15/h3-10,14H,11-13,20H2,1-2H3
InChIKeyRLEMWJKGZCTMQN-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.06
Rot. Bonds5

About 2-(2-methylpropyl)-1-(2-phenylethyl)benzimidazol-4-amine

2-(2-methylpropyl)-1-(2-phenylethyl)benzimidazol-4-amine (PubChem CID 82067691) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-(2-phenylethyl)benzimidazol-4-amine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-(2-phenylethyl)benzimidazol-4-amine
PubChem CID82067691
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name2-(2-methylpropyl)-1-(2-phenylethyl)benzimidazol-4-amine
SMILESCC(C)Cc1nc2c(N)cccc2n1CCc1ccccc1
InChIInChI=1S/C19H23N3/c1-14(2)13-18-21-19-16(20)9-6-10-17(19)22(18)12-11-15-7-4-3-5-8-15/h3-10,14H,11-13,20H2,1-2H3
InChIKeyRLEMWJKGZCTMQN-UHFFFAOYSA-N
XLogP4.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.06
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-butyl-2-(2-methylpropyl)benzimidazol-4-amine
CID 82067688
2-(2-methylpropyl)-1-pentylbenzimidazol-4-amine
CID 82067689
2-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine
CID 82067705
2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]-N-methylacetamide
CID 82067706
methyl 2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]acetate
CID 82067665
2-(4-amino-2-benzylbenzimidazol-1-yl)ethanol
CID 82068013
1-(2-phenylethyl)-2-(trifluoromethyl)benzimidazol-4-amine
CID 82068309
1-benzyl-2-propylbenzimidazol-4-amine
CID 82067310
2-benzyl-1-propan-2-ylbenzimidazol-4-amine
CID 82068006
4-chloro-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole
CID 104837381
3-(4-amino-2-butylbenzimidazol-1-yl)propanoic acid
CID 82067392
2-(aminomethyl)-1-propan-2-ylbenzimidazol-4-amine
CID 84777995

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-(2-phenylethyl)benzimidazol-4-amine?
The IUPAC name of 2-(2-methylpropyl)-1-(2-phenylethyl)benzimidazol-4-amine (CID 82067691) is 2-(2-methylpropyl)-1-(2-phenylethyl)benzimidazol-4-amine.
What is the SMILES notation for 2-(2-methylpropyl)-1-(2-phenylethyl)benzimidazol-4-amine?
The canonical SMILES for 2-(2-methylpropyl)-1-(2-phenylethyl)benzimidazol-4-amine is CC(C)Cc1nc2c(N)cccc2n1CCc1ccccc1.
What is the InChIKey of 2-(2-methylpropyl)-1-(2-phenylethyl)benzimidazol-4-amine?
The InChIKey is RLEMWJKGZCTMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-14(2)13-18-21-19-16(20)9-6-10-17(19)22(18)12-11-15-7-4-3-5-8-15/h3-10,14H,11-13,20H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-1-(2-phenylethyl)benzimidazol-4-amine?
2-(2-methylpropyl)-1-(2-phenylethyl)benzimidazol-4-amine has a molecular weight of 293.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-(2-phenylethyl)benzimidazol-4-amine is sourced from PubChem (CID 82067691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).