5-chloro-1-[3-(dimethylamino)propyl]-3-phenylbenzimidazol-2-one

C18H20ClN3O — CID 20883

IUPAC5-chloro-1-[3-(dimethylamino)propyl]-3-phenylbenzimidazol-2-one
SMILESCN(C)CCCn1c(=O)n(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C18H20ClN3O/c1-20(2)11-6-12-21-16-10-9-14(19)13-17(16)22(18(21)23)15-7-4-3-5-8-15/h3-5,7-10,13H,6,11-12H2,1-2H3
InChIKeyVWXGRWMELBPMCU-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.40
Rot. Bonds5

About 5-chloro-1-[3-(dimethylamino)propyl]-3-phenylbenzimidazol-2-one

5-chloro-1-[3-(dimethylamino)propyl]-3-phenylbenzimidazol-2-one (PubChem CID 20883) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 5-chloro-1-[3-(dimethylamino)propyl]-3-phenylbenzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-1-[3-(dimethylamino)propyl]-3-phenylbenzimidazol-2-one
PubChem CID20883
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name5-chloro-1-[3-(dimethylamino)propyl]-3-phenylbenzimidazol-2-one
SMILESCN(C)CCCn1c(=O)n(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C18H20ClN3O/c1-20(2)11-6-12-21-16-10-9-14(19)13-17(16)22(18(21)23)15-7-4-3-5-8-15/h3-5,7-10,13H,6,11-12H2,1-2H3
InChIKeyVWXGRWMELBPMCU-UHFFFAOYSA-N
XLogP3.40
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[3-(dimethylamino)propyl]-3-phenylbenzimidazol-2-one?
The IUPAC name of 5-chloro-1-[3-(dimethylamino)propyl]-3-phenylbenzimidazol-2-one (CID 20883) is 5-chloro-1-[3-(dimethylamino)propyl]-3-phenylbenzimidazol-2-one.
What is the SMILES notation for 5-chloro-1-[3-(dimethylamino)propyl]-3-phenylbenzimidazol-2-one?
The canonical SMILES for 5-chloro-1-[3-(dimethylamino)propyl]-3-phenylbenzimidazol-2-one is CN(C)CCCn1c(=O)n(-c2ccccc2)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-[3-(dimethylamino)propyl]-3-phenylbenzimidazol-2-one?
The InChIKey is VWXGRWMELBPMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-20(2)11-6-12-21-16-10-9-14(19)13-17(16)22(18(21)23)15-7-4-3-5-8-15/h3-5,7-10,13H,6,11-12H2,1-2H3.
What are the key properties of 5-chloro-1-[3-(dimethylamino)propyl]-3-phenylbenzimidazol-2-one?
5-chloro-1-[3-(dimethylamino)propyl]-3-phenylbenzimidazol-2-one has a molecular weight of 329.83 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[3-(dimethylamino)propyl]-3-phenylbenzimidazol-2-one is sourced from PubChem (CID 20883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).