1-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one

C22H27N5O — CID 15956496

IUPAC1-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one
SMILESCC(C)n1c(=O)n(Cc2nc3ccccc3n2CCN(C)C)c2ccccc21
InChIInChI=1S/C22H27N5O/c1-16(2)27-20-12-8-7-11-19(20)26(22(27)28)15-21-23-17-9-5-6-10-18(17)25(21)14-13-24(3)4/h5-12,16H,13-15H2,1-4H3
InChIKeyNRHXMBXHUZVUBS-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.34
Rot. Bonds6

About 1-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one

1-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one (PubChem CID 15956496) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one
PubChem CID15956496
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name1-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one
SMILESCC(C)n1c(=O)n(Cc2nc3ccccc3n2CCN(C)C)c2ccccc21
InChIInChI=1S/C22H27N5O/c1-16(2)27-20-12-8-7-11-19(20)26(22(27)28)15-21-23-17-9-5-6-10-18(17)25(21)14-13-24(3)4/h5-12,16H,13-15H2,1-4H3
InChIKeyNRHXMBXHUZVUBS-UHFFFAOYSA-N
XLogP3.34
TPSA47.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one?
The IUPAC name of 1-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one (CID 15956496) is 1-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one.
What is the SMILES notation for 1-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one?
The canonical SMILES for 1-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one is CC(C)n1c(=O)n(Cc2nc3ccccc3n2CCN(C)C)c2ccccc21.
What is the InChIKey of 1-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one?
The InChIKey is NRHXMBXHUZVUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-16(2)27-20-12-8-7-11-19(20)26(22(27)28)15-21-23-17-9-5-6-10-18(17)25(21)14-13-24(3)4/h5-12,16H,13-15H2,1-4H3.
What are the key properties of 1-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one?
1-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one has a molecular weight of 377.49 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one is sourced from PubChem (CID 15956496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).