3-chloro-2-ethyl-1-morpholin-4-ylpyrido[1,2-a]benzimidazole-4-carbonitrile

C18H17ClN4O — CID 14221184

IUPAC3-chloro-2-ethyl-1-morpholin-4-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCCc1c(Cl)c(C#N)c2nc3ccccc3n2c1N1CCOCC1
InChIInChI=1S/C18H17ClN4O/c1-2-12-16(19)13(11-20)17-21-14-5-3-4-6-15(14)23(17)18(12)22-7-9-24-10-8-22/h3-6H,2,7-10H2,1H3
InChIKeyHZTZXMCSXSTZBG-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.41
Rot. Bonds2

About 3-chloro-2-ethyl-1-morpholin-4-ylpyrido[1,2-a]benzimidazole-4-carbonitrile

3-chloro-2-ethyl-1-morpholin-4-ylpyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 14221184) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 3-chloro-2-ethyl-1-morpholin-4-ylpyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-ethyl-1-morpholin-4-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID14221184
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name3-chloro-2-ethyl-1-morpholin-4-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCCc1c(Cl)c(C#N)c2nc3ccccc3n2c1N1CCOCC1
InChIInChI=1S/C18H17ClN4O/c1-2-12-16(19)13(11-20)17-21-14-5-3-4-6-15(14)23(17)18(12)22-7-9-24-10-8-22/h3-6H,2,7-10H2,1H3
InChIKeyHZTZXMCSXSTZBG-UHFFFAOYSA-N
XLogP3.41
TPSA53.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1,3-dimorpholin-4-ylpyrido[1,2-a]benzimidazole-4-carbonitrile;hydrochloride
CID 162159213
2-ethyl-3-methyl-1-(4-methylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3588711
1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 986265
2-ethyl-1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-3-(oxan-4-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile;hydrochloride
CID 162333710
16-(1,4-oxazepan-4-yl)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile;hydrochloride
CID 161422594
3-methyl-1-(4-phenylpiperazin-1-yl)-2-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3803898
2-ethyl-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 4747505
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3981752
ethyl 1-(4-cyano-2-ethyl-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxylate
CID 3747471
2-[(4-chlorophenyl)methyl]-3-methyl-1-(4-phenylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 19259157
2-ethyl-3-methyl-1-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3348851
2-acetyl-12-morpholin-4-yl-3,4-dihydro-1H-benzimidazolo[1,2-b][2,7]naphthyridine-5-carbonitrile;hydrochloride
CID 162305284

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-ethyl-1-morpholin-4-ylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 3-chloro-2-ethyl-1-morpholin-4-ylpyrido[1,2-a]benzimidazole-4-carbonitrile (CID 14221184) is 3-chloro-2-ethyl-1-morpholin-4-ylpyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-ethyl-1-morpholin-4-ylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 3-chloro-2-ethyl-1-morpholin-4-ylpyrido[1,2-a]benzimidazole-4-carbonitrile is CCc1c(Cl)c(C#N)c2nc3ccccc3n2c1N1CCOCC1.
What is the InChIKey of 3-chloro-2-ethyl-1-morpholin-4-ylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is HZTZXMCSXSTZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-2-12-16(19)13(11-20)17-21-14-5-3-4-6-15(14)23(17)18(12)22-7-9-24-10-8-22/h3-6H,2,7-10H2,1H3.
What are the key properties of 3-chloro-2-ethyl-1-morpholin-4-ylpyrido[1,2-a]benzimidazole-4-carbonitrile?
3-chloro-2-ethyl-1-morpholin-4-ylpyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 340.81 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-ethyl-1-morpholin-4-ylpyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 14221184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).