N,N-diethyl-3-[2-(3-pyrrolidin-1-ylphenyl)benzimidazol-1-yl]propan-1-amine

C24H32N4 — CID 175453548

IUPACN,N-diethyl-3-[2-(3-pyrrolidin-1-ylphenyl)benzimidazol-1-yl]propan-1-amine
SMILESCCN(CC)CCCn1c(-c2cccc(N3CCCC3)c2)nc2ccccc21
InChIInChI=1S/C24H32N4/c1-3-26(4-2)15-10-18-28-23-14-6-5-13-22(23)25-24(28)20-11-9-12-21(19-20)27-16-7-8-17-27/h5-6,9,11-14,19H,3-4,7-8,10,15-18H2,1-2H3
InChIKeyAMLGSQUATMKYHW-UHFFFAOYSA-N
MW376.55 g/mol
LogP5.04
Rot. Bonds8

About N,N-diethyl-3-[2-(3-pyrrolidin-1-ylphenyl)benzimidazol-1-yl]propan-1-amine

N,N-diethyl-3-[2-(3-pyrrolidin-1-ylphenyl)benzimidazol-1-yl]propan-1-amine (PubChem CID 175453548) has the molecular formula C24H32N4 and a molecular weight of 376.55 g/mol. Its IUPAC name is N,N-diethyl-3-[2-(3-pyrrolidin-1-ylphenyl)benzimidazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-[2-(3-pyrrolidin-1-ylphenyl)benzimidazol-1-yl]propan-1-amine
PubChem CID175453548
Molecular FormulaC24H32N4
Molecular Weight376.55 g/mol
Exact Mass376.26
IUPAC NameN,N-diethyl-3-[2-(3-pyrrolidin-1-ylphenyl)benzimidazol-1-yl]propan-1-amine
SMILESCCN(CC)CCCn1c(-c2cccc(N3CCCC3)c2)nc2ccccc21
InChIInChI=1S/C24H32N4/c1-3-26(4-2)15-10-18-28-23-14-6-5-13-22(23)25-24(28)20-11-9-12-21(19-20)27-16-7-8-17-27/h5-6,9,11-14,19H,3-4,7-8,10,15-18H2,1-2H3
InChIKeyAMLGSQUATMKYHW-UHFFFAOYSA-N
XLogP5.04
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.55
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[2-(3-pyrrolidin-1-ylphenyl)benzimidazol-1-yl]propan-1-amine?
The IUPAC name of N,N-diethyl-3-[2-(3-pyrrolidin-1-ylphenyl)benzimidazol-1-yl]propan-1-amine (CID 175453548) is N,N-diethyl-3-[2-(3-pyrrolidin-1-ylphenyl)benzimidazol-1-yl]propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-[2-(3-pyrrolidin-1-ylphenyl)benzimidazol-1-yl]propan-1-amine?
The canonical SMILES for N,N-diethyl-3-[2-(3-pyrrolidin-1-ylphenyl)benzimidazol-1-yl]propan-1-amine is CCN(CC)CCCn1c(-c2cccc(N3CCCC3)c2)nc2ccccc21.
What is the InChIKey of N,N-diethyl-3-[2-(3-pyrrolidin-1-ylphenyl)benzimidazol-1-yl]propan-1-amine?
The InChIKey is AMLGSQUATMKYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4/c1-3-26(4-2)15-10-18-28-23-14-6-5-13-22(23)25-24(28)20-11-9-12-21(19-20)27-16-7-8-17-27/h5-6,9,11-14,19H,3-4,7-8,10,15-18H2,1-2H3.
What are the key properties of N,N-diethyl-3-[2-(3-pyrrolidin-1-ylphenyl)benzimidazol-1-yl]propan-1-amine?
N,N-diethyl-3-[2-(3-pyrrolidin-1-ylphenyl)benzimidazol-1-yl]propan-1-amine has a molecular weight of 376.55 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[2-(3-pyrrolidin-1-ylphenyl)benzimidazol-1-yl]propan-1-amine is sourced from PubChem (CID 175453548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).