2-cyclobutyl-6-[(2-methoxyacetyl)amino]-N,3-dimethyl-N-(thiophen-3-ylmethyl)benzimidazole-4-carboxamide

C22H26N4O3S — CID 42170060

IUPAC2-cyclobutyl-6-[(2-methoxyacetyl)amino]-N,3-dimethyl-N-(thiophen-3-ylmethyl)benzimidazole-4-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)N(C)Cc2ccsc2)c2c(c1)nc(C1CCC1)n2C
InChIInChI=1S/C22H26N4O3S/c1-25(11-14-7-8-30-13-14)22(28)17-9-16(23-19(27)12-29-3)10-18-20(17)26(2)21(24-18)15-5-4-6-15/h7-10,13,15H,4-6,11-12H2,1-3H3,(H,23,27)
InChIKeyBUAVEVLQTHYMNG-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.76
Rot. Bonds7

About 2-cyclobutyl-6-[(2-methoxyacetyl)amino]-N,3-dimethyl-N-(thiophen-3-ylmethyl)benzimidazole-4-carboxamide

2-cyclobutyl-6-[(2-methoxyacetyl)amino]-N,3-dimethyl-N-(thiophen-3-ylmethyl)benzimidazole-4-carboxamide (PubChem CID 42170060) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-cyclobutyl-6-[(2-methoxyacetyl)amino]-N,3-dimethyl-N-(thiophen-3-ylmethyl)benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-6-[(2-methoxyacetyl)amino]-N,3-dimethyl-N-(thiophen-3-ylmethyl)benzimidazole-4-carboxamide
PubChem CID42170060
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name2-cyclobutyl-6-[(2-methoxyacetyl)amino]-N,3-dimethyl-N-(thiophen-3-ylmethyl)benzimidazole-4-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)N(C)Cc2ccsc2)c2c(c1)nc(C1CCC1)n2C
InChIInChI=1S/C22H26N4O3S/c1-25(11-14-7-8-30-13-14)22(28)17-9-16(23-19(27)12-29-3)10-18-20(17)26(2)21(24-18)15-5-4-6-15/h7-10,13,15H,4-6,11-12H2,1-3H3,(H,23,27)
InChIKeyBUAVEVLQTHYMNG-UHFFFAOYSA-N
XLogP3.76
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclobutyl-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-[(2-methoxyacetyl)amino]-N,3-dimethylbenzimidazole-4-carboxamide
CID 42276148
2-cyclobutyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-[(2-methoxyacetyl)amino]-N,3-dimethylbenzimidazole-4-carboxamide
CID 45198971
N-[2-cyclobutyl-1-methyl-7-[2-(1-methylimidazol-2-yl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide
CID 45225986
N-[2-cyclobutyl-1-methyl-7-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide
CID 42429744
6-[(2-cyclopentylacetyl)amino]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-2-(oxolan-2-yl)benzimidazole-4-carboxamide
CID 45191558
6-[(2-methoxyacetyl)amino]-N,3-dimethyl-2-pyridin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide
CID 26279270
2-cyclobutyl-N,1-dimethyl-7-(oxolane-2-carbonylamino)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 45179351
5-N-cyclooctyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-3-N-(thiophen-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 26345495
N-butyl-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide
CID 42405347
2-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 30604031
1-(2-methoxyethyl)-N-methyl-6-oxo-N-(thiophen-3-ylmethyl)pyridazine-3-carboxamide
CID 30539309
2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 113227301

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-6-[(2-methoxyacetyl)amino]-N,3-dimethyl-N-(thiophen-3-ylmethyl)benzimidazole-4-carboxamide?
The IUPAC name of 2-cyclobutyl-6-[(2-methoxyacetyl)amino]-N,3-dimethyl-N-(thiophen-3-ylmethyl)benzimidazole-4-carboxamide (CID 42170060) is 2-cyclobutyl-6-[(2-methoxyacetyl)amino]-N,3-dimethyl-N-(thiophen-3-ylmethyl)benzimidazole-4-carboxamide.
What is the SMILES notation for 2-cyclobutyl-6-[(2-methoxyacetyl)amino]-N,3-dimethyl-N-(thiophen-3-ylmethyl)benzimidazole-4-carboxamide?
The canonical SMILES for 2-cyclobutyl-6-[(2-methoxyacetyl)amino]-N,3-dimethyl-N-(thiophen-3-ylmethyl)benzimidazole-4-carboxamide is COCC(=O)Nc1cc(C(=O)N(C)Cc2ccsc2)c2c(c1)nc(C1CCC1)n2C.
What is the InChIKey of 2-cyclobutyl-6-[(2-methoxyacetyl)amino]-N,3-dimethyl-N-(thiophen-3-ylmethyl)benzimidazole-4-carboxamide?
The InChIKey is BUAVEVLQTHYMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-25(11-14-7-8-30-13-14)22(28)17-9-16(23-19(27)12-29-3)10-18-20(17)26(2)21(24-18)15-5-4-6-15/h7-10,13,15H,4-6,11-12H2,1-3H3,(H,23,27).
What are the key properties of 2-cyclobutyl-6-[(2-methoxyacetyl)amino]-N,3-dimethyl-N-(thiophen-3-ylmethyl)benzimidazole-4-carboxamide?
2-cyclobutyl-6-[(2-methoxyacetyl)amino]-N,3-dimethyl-N-(thiophen-3-ylmethyl)benzimidazole-4-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-6-[(2-methoxyacetyl)amino]-N,3-dimethyl-N-(thiophen-3-ylmethyl)benzimidazole-4-carboxamide is sourced from PubChem (CID 42170060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).