1-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one

C23H27N5O — CID 15956498

IUPAC1-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)n1c(=O)n(Cc2nc3ccccc3n2CCCN(C)C)c2ccccc21
InChIInChI=1S/C23H27N5O/c1-17(2)28-21-13-8-7-12-20(21)27(23(28)29)16-22-24-18-10-5-6-11-19(18)26(22)15-9-14-25(3)4/h5-8,10-13H,1,9,14-16H2,2-4H3
InChIKeyBNCTUYYBHSDAGH-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.64
Rot. Bonds7

About 1-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one

1-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one (PubChem CID 15956498) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one
PubChem CID15956498
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name1-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)n1c(=O)n(Cc2nc3ccccc3n2CCCN(C)C)c2ccccc21
InChIInChI=1S/C23H27N5O/c1-17(2)28-21-13-8-7-12-20(21)27(23(28)29)16-22-24-18-10-5-6-11-19(18)26(22)15-9-14-25(3)4/h5-8,10-13H,1,9,14-16H2,2-4H3
InChIKeyBNCTUYYBHSDAGH-UHFFFAOYSA-N
XLogP3.64
TPSA47.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
The IUPAC name of 1-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one (CID 15956498) is 1-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one.
What is the SMILES notation for 1-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
The canonical SMILES for 1-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one is C=C(C)n1c(=O)n(Cc2nc3ccccc3n2CCCN(C)C)c2ccccc21.
What is the InChIKey of 1-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
The InChIKey is BNCTUYYBHSDAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-17(2)28-21-13-8-7-12-20(21)27(23(28)29)16-22-24-18-10-5-6-11-19(18)26(22)15-9-14-25(3)4/h5-8,10-13H,1,9,14-16H2,2-4H3.
What are the key properties of 1-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
1-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one has a molecular weight of 389.50 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one is sourced from PubChem (CID 15956498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).