(3R)-N-ethyl-3-(3-ethyl-2H-benzimidazol-1-yl)-3-phenylpropan-1-amine

C20H27N3 — CID 174549501

IUPAC(3R)-N-ethyl-3-(3-ethyl-2H-benzimidazol-1-yl)-3-phenylpropan-1-amine
SMILESCCNCC[C@H](c1ccccc1)N1CN(CC)c2ccccc21
InChIInChI=1S/C20H27N3/c1-3-21-15-14-18(17-10-6-5-7-11-17)23-16-22(4-2)19-12-8-9-13-20(19)23/h5-13,18,21H,3-4,14-16H2,1-2H3/t18-/m1/s1
InChIKeyOFQWOUJGOLIDIL-GOSISDBHSA-N
MW309.46 g/mol
LogP4.03
Rot. Bonds7

About (3R)-N-ethyl-3-(3-ethyl-2H-benzimidazol-1-yl)-3-phenylpropan-1-amine

(3R)-N-ethyl-3-(3-ethyl-2H-benzimidazol-1-yl)-3-phenylpropan-1-amine (PubChem CID 174549501) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is (3R)-N-ethyl-3-(3-ethyl-2H-benzimidazol-1-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(3R)-N-ethyl-3-(3-ethyl-2H-benzimidazol-1-yl)-3-phenylpropan-1-amine
PubChem CID174549501
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name(3R)-N-ethyl-3-(3-ethyl-2H-benzimidazol-1-yl)-3-phenylpropan-1-amine
SMILESCCNCC[C@H](c1ccccc1)N1CN(CC)c2ccccc21
InChIInChI=1S/C20H27N3/c1-3-21-15-14-18(17-10-6-5-7-11-17)23-16-22(4-2)19-12-8-9-13-20(19)23/h5-13,18,21H,3-4,14-16H2,1-2H3/t18-/m1/s1
InChIKeyOFQWOUJGOLIDIL-GOSISDBHSA-N
XLogP4.03
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-3-(3-ethyl-2H-benzimidazol-1-yl)-3-phenylpropan-1-amine?
The IUPAC name of (3R)-N-ethyl-3-(3-ethyl-2H-benzimidazol-1-yl)-3-phenylpropan-1-amine (CID 174549501) is (3R)-N-ethyl-3-(3-ethyl-2H-benzimidazol-1-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for (3R)-N-ethyl-3-(3-ethyl-2H-benzimidazol-1-yl)-3-phenylpropan-1-amine?
The canonical SMILES for (3R)-N-ethyl-3-(3-ethyl-2H-benzimidazol-1-yl)-3-phenylpropan-1-amine is CCNCC[C@H](c1ccccc1)N1CN(CC)c2ccccc21.
What is the InChIKey of (3R)-N-ethyl-3-(3-ethyl-2H-benzimidazol-1-yl)-3-phenylpropan-1-amine?
The InChIKey is OFQWOUJGOLIDIL-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N3/c1-3-21-15-14-18(17-10-6-5-7-11-17)23-16-22(4-2)19-12-8-9-13-20(19)23/h5-13,18,21H,3-4,14-16H2,1-2H3/t18-/m1/s1.
What are the key properties of (3R)-N-ethyl-3-(3-ethyl-2H-benzimidazol-1-yl)-3-phenylpropan-1-amine?
(3R)-N-ethyl-3-(3-ethyl-2H-benzimidazol-1-yl)-3-phenylpropan-1-amine has a molecular weight of 309.46 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-3-(3-ethyl-2H-benzimidazol-1-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 174549501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).