3-(3-cyclopropyl-2H-benzimidazol-1-yl)-N-methyl-3-phenylpropan-1-amine

C20H25N3 — CID 174549485

IUPAC3-(3-cyclopropyl-2H-benzimidazol-1-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(c1ccccc1)N1CN(C2CC2)c2ccccc21
InChIInChI=1S/C20H25N3/c1-21-14-13-18(16-7-3-2-4-8-16)23-15-22(17-11-12-17)19-9-5-6-10-20(19)23/h2-10,17-18,21H,11-15H2,1H3
InChIKeyQGSIWXJEJJYHRC-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.78
Rot. Bonds6

About 3-(3-cyclopropyl-2H-benzimidazol-1-yl)-N-methyl-3-phenylpropan-1-amine

3-(3-cyclopropyl-2H-benzimidazol-1-yl)-N-methyl-3-phenylpropan-1-amine (PubChem CID 174549485) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-(3-cyclopropyl-2H-benzimidazol-1-yl)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(3-cyclopropyl-2H-benzimidazol-1-yl)-N-methyl-3-phenylpropan-1-amine
PubChem CID174549485
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name3-(3-cyclopropyl-2H-benzimidazol-1-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(c1ccccc1)N1CN(C2CC2)c2ccccc21
InChIInChI=1S/C20H25N3/c1-21-14-13-18(16-7-3-2-4-8-16)23-15-22(17-11-12-17)19-9-5-6-10-20(19)23/h2-10,17-18,21H,11-15H2,1H3
InChIKeyQGSIWXJEJJYHRC-UHFFFAOYSA-N
XLogP3.78
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-2H-benzimidazol-1-yl)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 3-(3-cyclopropyl-2H-benzimidazol-1-yl)-N-methyl-3-phenylpropan-1-amine (CID 174549485) is 3-(3-cyclopropyl-2H-benzimidazol-1-yl)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 3-(3-cyclopropyl-2H-benzimidazol-1-yl)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 3-(3-cyclopropyl-2H-benzimidazol-1-yl)-N-methyl-3-phenylpropan-1-amine is CNCCC(c1ccccc1)N1CN(C2CC2)c2ccccc21.
What is the InChIKey of 3-(3-cyclopropyl-2H-benzimidazol-1-yl)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is QGSIWXJEJJYHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-21-14-13-18(16-7-3-2-4-8-16)23-15-22(17-11-12-17)19-9-5-6-10-20(19)23/h2-10,17-18,21H,11-15H2,1H3.
What are the key properties of 3-(3-cyclopropyl-2H-benzimidazol-1-yl)-N-methyl-3-phenylpropan-1-amine?
3-(3-cyclopropyl-2H-benzimidazol-1-yl)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 307.44 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-2H-benzimidazol-1-yl)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 174549485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).