1-(cyclopropylmethyl)-6-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]benzimidazole-5-carbonitrile

C22H21N5O — CID 122688193

IUPAC1-(cyclopropylmethyl)-6-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]benzimidazole-5-carbonitrile
SMILESCN1C(=O)CCc2cc(Nc3cc4c(cc3C#N)ncn4CC3CC3)ccc21
InChIInChI=1S/C22H21N5O/c1-26-20-6-5-17(8-15(20)4-7-22(26)28)25-18-10-21-19(9-16(18)11-23)24-13-27(21)12-14-2-3-14/h5-6,8-10,13-14,25H,2-4,7,12H2,1H3
InChIKeyWBVWOFDREAFQJV-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.97
Rot. Bonds4

About 1-(cyclopropylmethyl)-6-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]benzimidazole-5-carbonitrile

1-(cyclopropylmethyl)-6-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]benzimidazole-5-carbonitrile (PubChem CID 122688193) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]benzimidazole-5-carbonitrile
PubChem CID122688193
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name1-(cyclopropylmethyl)-6-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]benzimidazole-5-carbonitrile
SMILESCN1C(=O)CCc2cc(Nc3cc4c(cc3C#N)ncn4CC3CC3)ccc21
InChIInChI=1S/C22H21N5O/c1-26-20-6-5-17(8-15(20)4-7-22(26)28)25-18-10-21-19(9-16(18)11-23)24-13-27(21)12-14-2-3-14/h5-6,8-10,13-14,25H,2-4,7,12H2,1H3
InChIKeyWBVWOFDREAFQJV-UHFFFAOYSA-N
XLogP3.97
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]benzimidazole-5-carbonitrile?
The IUPAC name of 1-(cyclopropylmethyl)-6-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]benzimidazole-5-carbonitrile (CID 122688193) is 1-(cyclopropylmethyl)-6-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]benzimidazole-5-carbonitrile?
The canonical SMILES for 1-(cyclopropylmethyl)-6-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]benzimidazole-5-carbonitrile is CN1C(=O)CCc2cc(Nc3cc4c(cc3C#N)ncn4CC3CC3)ccc21.
What is the InChIKey of 1-(cyclopropylmethyl)-6-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]benzimidazole-5-carbonitrile?
The InChIKey is WBVWOFDREAFQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-26-20-6-5-17(8-15(20)4-7-22(26)28)25-18-10-21-19(9-16(18)11-23)24-13-27(21)12-14-2-3-14/h5-6,8-10,13-14,25H,2-4,7,12H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-6-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]benzimidazole-5-carbonitrile?
1-(cyclopropylmethyl)-6-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]benzimidazole-5-carbonitrile has a molecular weight of 371.44 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]benzimidazole-5-carbonitrile is sourced from PubChem (CID 122688193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).