2-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine

C17H26N4 — CID 62993400

IUPAC2-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine
SMILESCC(C)c1nc2cc(N)ccc2n1CCCN1CCCC1
InChIInChI=1S/C17H26N4/c1-13(2)17-19-15-12-14(18)6-7-16(15)21(17)11-5-10-20-8-3-4-9-20/h6-7,12-13H,3-5,8-11,18H2,1-2H3
InChIKeyFKCRSUVUAIIOCP-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.23
Rot. Bonds5

About 2-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine

2-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine (PubChem CID 62993400) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine
PubChem CID62993400
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine
SMILESCC(C)c1nc2cc(N)ccc2n1CCCN1CCCC1
InChIInChI=1S/C17H26N4/c1-13(2)17-19-15-12-14(18)6-7-16(15)21(17)11-5-10-20-8-3-4-9-20/h6-7,12-13H,3-5,8-11,18H2,1-2H3
InChIKeyFKCRSUVUAIIOCP-UHFFFAOYSA-N
XLogP3.23
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine?
The IUPAC name of 2-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine (CID 62993400) is 2-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine.
What is the SMILES notation for 2-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine?
The canonical SMILES for 2-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine is CC(C)c1nc2cc(N)ccc2n1CCCN1CCCC1.
What is the InChIKey of 2-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine?
The InChIKey is FKCRSUVUAIIOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-13(2)17-19-15-12-14(18)6-7-16(15)21(17)11-5-10-20-8-3-4-9-20/h6-7,12-13H,3-5,8-11,18H2,1-2H3.
What are the key properties of 2-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine?
2-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine has a molecular weight of 286.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine is sourced from PubChem (CID 62993400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).