1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propylbenzimidazol-5-amine

C17H26N4 — CID 62508197

IUPAC1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1CC1CCN(CC)C1
InChIInChI=1S/C17H26N4/c1-3-5-17-19-15-10-14(18)6-7-16(15)21(17)12-13-8-9-20(4-2)11-13/h6-7,10,13H,3-5,8-9,11-12,18H2,1-2H3
InChIKeyKYXNXVFHIGGOEF-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.91
Rot. Bonds5

About 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propylbenzimidazol-5-amine

1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propylbenzimidazol-5-amine (PubChem CID 62508197) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propylbenzimidazol-5-amine
PubChem CID62508197
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1CC1CCN(CC)C1
InChIInChI=1S/C17H26N4/c1-3-5-17-19-15-10-14(18)6-7-16(15)21(17)12-13-8-9-20(4-2)11-13/h6-7,10,13H,3-5,8-9,11-12,18H2,1-2H3
InChIKeyKYXNXVFHIGGOEF-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
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 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propylbenzimidazol-5-amine?
The IUPAC name of 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propylbenzimidazol-5-amine (CID 62508197) is 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propylbenzimidazol-5-amine.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propylbenzimidazol-5-amine?
The canonical SMILES for 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propylbenzimidazol-5-amine is CCCc1nc2cc(N)ccc2n1CC1CCN(CC)C1.
What is the InChIKey of 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propylbenzimidazol-5-amine?
The InChIKey is KYXNXVFHIGGOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-3-5-17-19-15-10-14(18)6-7-16(15)21(17)12-13-8-9-20(4-2)11-13/h6-7,10,13H,3-5,8-9,11-12,18H2,1-2H3.
What are the key properties of 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propylbenzimidazol-5-amine?
1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propylbenzimidazol-5-amine has a molecular weight of 286.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propylbenzimidazol-5-amine is sourced from PubChem (CID 62508197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).