2-propan-2-yl-1-propylbenzimidazol-5-amine

C13H19N3 — CID 43830820

IUPAC2-propan-2-yl-1-propylbenzimidazol-5-amine
SMILESCCCn1c(C(C)C)nc2cc(N)ccc21
InChIInChI=1S/C13H19N3/c1-4-7-16-12-6-5-10(14)8-11(12)15-13(16)9(2)3/h5-6,8-9H,4,7,14H2,1-3H3
InChIKeyMTFRMBCEUYGMEW-UHFFFAOYSA-N
MW217.32 g/mol
LogP3.15
Rot. Bonds3

About 2-propan-2-yl-1-propylbenzimidazol-5-amine

2-propan-2-yl-1-propylbenzimidazol-5-amine (PubChem CID 43830820) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-propan-2-yl-1-propylbenzimidazol-5-amine.

Molecular Properties

Compound Name2-propan-2-yl-1-propylbenzimidazol-5-amine
PubChem CID43830820
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-propan-2-yl-1-propylbenzimidazol-5-amine
SMILESCCCn1c(C(C)C)nc2cc(N)ccc21
InChIInChI=1S/C13H19N3/c1-4-7-16-12-6-5-10(14)8-11(12)15-13(16)9(2)3/h5-6,8-9H,4,7,14H2,1-3H3
InChIKeyMTFRMBCEUYGMEW-UHFFFAOYSA-N
XLogP3.15
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 53.15
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-propan-2-yl-1-propylbenzimidazol-5-amine?
The IUPAC name of 2-propan-2-yl-1-propylbenzimidazol-5-amine (CID 43830820) is 2-propan-2-yl-1-propylbenzimidazol-5-amine.
What is the SMILES notation for 2-propan-2-yl-1-propylbenzimidazol-5-amine?
The canonical SMILES for 2-propan-2-yl-1-propylbenzimidazol-5-amine is CCCn1c(C(C)C)nc2cc(N)ccc21.
What is the InChIKey of 2-propan-2-yl-1-propylbenzimidazol-5-amine?
The InChIKey is MTFRMBCEUYGMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-4-7-16-12-6-5-10(14)8-11(12)15-13(16)9(2)3/h5-6,8-9H,4,7,14H2,1-3H3.
What are the key properties of 2-propan-2-yl-1-propylbenzimidazol-5-amine?
2-propan-2-yl-1-propylbenzimidazol-5-amine has a molecular weight of 217.32 g/mol, XLogP of 3.15, 3 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-propylbenzimidazol-5-amine is sourced from PubChem (CID 43830820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).