(4-butyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)-thiophen-2-ylmethanone

C19H19N3OS — CID 2859585

IUPAC(4-butyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)-thiophen-2-ylmethanone
SMILESCCCCn1c2ccccc2n2c(C(=O)c3cccs3)c(C)nc12
InChIInChI=1S/C19H19N3OS/c1-3-4-11-21-14-8-5-6-9-15(14)22-17(13(2)20-19(21)22)18(23)16-10-7-12-24-16/h5-10,12H,3-4,11H2,1-2H3
InChIKeySPHKXUUQQRKQLC-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.69
Rot. Bonds5

About (4-butyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)-thiophen-2-ylmethanone

(4-butyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)-thiophen-2-ylmethanone (PubChem CID 2859585) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is (4-butyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-butyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)-thiophen-2-ylmethanone
PubChem CID2859585
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name(4-butyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)-thiophen-2-ylmethanone
SMILESCCCCn1c2ccccc2n2c(C(=O)c3cccs3)c(C)nc12
InChIInChI=1S/C19H19N3OS/c1-3-4-11-21-14-8-5-6-9-15(14)22-17(13(2)20-19(21)22)18(23)16-10-7-12-24-16/h5-10,12H,3-4,11H2,1-2H3
InChIKeySPHKXUUQQRKQLC-UHFFFAOYSA-N
XLogP4.69
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-butyl-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate
CID 2858506
methyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate;hydrochloride
CID 2859222
2-(3-butyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanone
CID 2851129
[2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride
CID 24838936
N-[1-(1-butylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 3243597
ethyl 2-butyl-3-(thiophene-2-carbonyl)pyrrolo[1,2-a]quinoline-1-carboxylate
CID 102323529
1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone;dihydrochloride
CID 52994941
10-butyl-2-propylpyrimido[1,2-a]benzimidazol-4-one
CID 45031515
2-methyl-5-(2-oxo-2-thiophen-2-ylethyl)-[1,2,4]triazino[2,3-a]benzimidazol-3-one
CID 777752
N-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide
CID 16982052
1-[2-methyl-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazol-1-yl]ethanone
CID 1206183
N-[5-(1-heptylbenzimidazol-2-yl)pentyl]thiophene-2-carboxamide
CID 16994788

Frequently Asked Questions

What is the IUPAC name of (4-butyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (4-butyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)-thiophen-2-ylmethanone (CID 2859585) is (4-butyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-butyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-butyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)-thiophen-2-ylmethanone is CCCCn1c2ccccc2n2c(C(=O)c3cccs3)c(C)nc12.
What is the InChIKey of (4-butyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)-thiophen-2-ylmethanone?
The InChIKey is SPHKXUUQQRKQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-3-4-11-21-14-8-5-6-9-15(14)22-17(13(2)20-19(21)22)18(23)16-10-7-12-24-16/h5-10,12H,3-4,11H2,1-2H3.
What are the key properties of (4-butyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)-thiophen-2-ylmethanone?
(4-butyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)-thiophen-2-ylmethanone has a molecular weight of 337.45 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 2859585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).