N,N-dimethyl-3-(1-phenylbenzimidazol-5-yl)oxypropan-1-amine

C18H21N3O — CID 5328507

IUPACN,N-dimethyl-3-(1-phenylbenzimidazol-5-yl)oxypropan-1-amine
SMILESCN(C)CCCOc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C18H21N3O/c1-20(2)11-6-12-22-16-9-10-18-17(13-16)19-14-21(18)15-7-4-3-5-8-15/h3-5,7-10,13-14H,6,11-12H2,1-2H3
InChIKeyTVCMMAFYYAKVLR-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.36
Rot. Bonds6

About N,N-dimethyl-3-(1-phenylbenzimidazol-5-yl)oxypropan-1-amine

N,N-dimethyl-3-(1-phenylbenzimidazol-5-yl)oxypropan-1-amine (PubChem CID 5328507) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N,N-dimethyl-3-(1-phenylbenzimidazol-5-yl)oxypropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(1-phenylbenzimidazol-5-yl)oxypropan-1-amine
PubChem CID5328507
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN,N-dimethyl-3-(1-phenylbenzimidazol-5-yl)oxypropan-1-amine
SMILESCN(C)CCCOc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C18H21N3O/c1-20(2)11-6-12-22-16-9-10-18-17(13-16)19-14-21(18)15-7-4-3-5-8-15/h3-5,7-10,13-14H,6,11-12H2,1-2H3
InChIKeyTVCMMAFYYAKVLR-UHFFFAOYSA-N
XLogP3.36
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 N,N-dimethyl-3-(1-phenylbenzimidazol-5-yl)oxypropan-1-amine?
The IUPAC name of N,N-dimethyl-3-(1-phenylbenzimidazol-5-yl)oxypropan-1-amine (CID 5328507) is N,N-dimethyl-3-(1-phenylbenzimidazol-5-yl)oxypropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(1-phenylbenzimidazol-5-yl)oxypropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(1-phenylbenzimidazol-5-yl)oxypropan-1-amine is CN(C)CCCOc1ccc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of N,N-dimethyl-3-(1-phenylbenzimidazol-5-yl)oxypropan-1-amine?
The InChIKey is TVCMMAFYYAKVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-20(2)11-6-12-22-16-9-10-18-17(13-16)19-14-21(18)15-7-4-3-5-8-15/h3-5,7-10,13-14H,6,11-12H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(1-phenylbenzimidazol-5-yl)oxypropan-1-amine?
N,N-dimethyl-3-(1-phenylbenzimidazol-5-yl)oxypropan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(1-phenylbenzimidazol-5-yl)oxypropan-1-amine is sourced from PubChem (CID 5328507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).