1-[[(2R)-oxolan-2-yl]methylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile

C20H22N4O — CID 830181

IUPAC1-[[(2R)-oxolan-2-yl]methylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCCCc1cc(NC[C@H]2CCCO2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C20H22N4O/c1-2-6-14-11-19(22-13-15-7-5-10-25-15)24-18-9-4-3-8-17(18)23-20(24)16(14)12-21/h3-4,8-9,11,15,22H,2,5-7,10,13H2,1H3/t15-/m1/s1
InChIKeyGJZQMJVPYUXHIO-OAHLLOKOSA-N
MW334.42 g/mol
LogP3.90
Rot. Bonds5

About 1-[[(2R)-oxolan-2-yl]methylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile

1-[[(2R)-oxolan-2-yl]methylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 830181) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[[(2R)-oxolan-2-yl]methylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name1-[[(2R)-oxolan-2-yl]methylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID830181
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-[[(2R)-oxolan-2-yl]methylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCCCc1cc(NC[C@H]2CCCO2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C20H22N4O/c1-2-6-14-11-19(22-13-15-7-5-10-25-15)24-18-9-4-3-8-17(18)23-20(24)16(14)12-21/h3-4,8-9,11,15,22H,2,5-7,10,13H2,1H3/t15-/m1/s1
InChIKeyGJZQMJVPYUXHIO-OAHLLOKOSA-N
XLogP3.90
TPSA62.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-[[(2S)-oxolan-2-yl]methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 706064
1-(cyclohexylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 855046
1-(3-morpholin-4-ylpropylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3157185
3-methyl-1-[2-(oxolan-2-ylmethoxy)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 133315015
1-[3-(diethylamino)propylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3780174
1-(4-bromoanilino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3298534
1-(3,4-dichloroanilino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 19259176
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 988431
2-(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanylacetate
CID 6984555
3-methyl-1-(2-morpholin-4-ylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 743371
1-(4-benzylpiperazin-4-ium-1-yl)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 4747775
3-methyl-1-[[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]amino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 31658168

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-oxolan-2-yl]methylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 1-[[(2R)-oxolan-2-yl]methylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile (CID 830181) is 1-[[(2R)-oxolan-2-yl]methylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 1-[[(2R)-oxolan-2-yl]methylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 1-[[(2R)-oxolan-2-yl]methylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile is CCCc1cc(NC[C@H]2CCCO2)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of 1-[[(2R)-oxolan-2-yl]methylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is GJZQMJVPYUXHIO-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N4O/c1-2-6-14-11-19(22-13-15-7-5-10-25-15)24-18-9-4-3-8-17(18)23-20(24)16(14)12-21/h3-4,8-9,11,15,22H,2,5-7,10,13H2,1H3/t15-/m1/s1.
What are the key properties of 1-[[(2R)-oxolan-2-yl]methylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile?
1-[[(2R)-oxolan-2-yl]methylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 334.42 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-oxolan-2-yl]methylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 830181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).