2-cyclobutyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-[(2-methoxyacetyl)amino]-N,3-dimethylbenzimidazole-4-carboxamide

C26H30N4O4 — CID 45198971

IUPAC2-cyclobutyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-[(2-methoxyacetyl)amino]-N,3-dimethylbenzimidazole-4-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)N(C)CC2Cc3ccccc3O2)c2c(c1)nc(C1CCC1)n2C
InChIInChI=1S/C26H30N4O4/c1-29(14-19-11-17-7-4-5-10-22(17)34-19)26(32)20-12-18(27-23(31)15-33-3)13-21-24(20)30(2)25(28-21)16-8-6-9-16/h4-5,7,10,12-13,16,19H,6,8-9,11,14-15H2,1-3H3,(H,27,31)
InChIKeyYJYPUUZXYGRXPR-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.50
Rot. Bonds7

About 2-cyclobutyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-[(2-methoxyacetyl)amino]-N,3-dimethylbenzimidazole-4-carboxamide

2-cyclobutyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-[(2-methoxyacetyl)amino]-N,3-dimethylbenzimidazole-4-carboxamide (PubChem CID 45198971) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-cyclobutyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-[(2-methoxyacetyl)amino]-N,3-dimethylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-[(2-methoxyacetyl)amino]-N,3-dimethylbenzimidazole-4-carboxamide
PubChem CID45198971
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name2-cyclobutyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-[(2-methoxyacetyl)amino]-N,3-dimethylbenzimidazole-4-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)N(C)CC2Cc3ccccc3O2)c2c(c1)nc(C1CCC1)n2C
InChIInChI=1S/C26H30N4O4/c1-29(14-19-11-17-7-4-5-10-22(17)34-19)26(32)20-12-18(27-23(31)15-33-3)13-21-24(20)30(2)25(28-21)16-8-6-9-16/h4-5,7,10,12-13,16,19H,6,8-9,11,14-15H2,1-3H3,(H,27,31)
InChIKeyYJYPUUZXYGRXPR-UHFFFAOYSA-N
XLogP3.50
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.50
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-6-[(2-methoxyacetyl)amino]-N,3-dimethyl-N-(thiophen-3-ylmethyl)benzimidazole-4-carboxamide
CID 42170060
6-acetamido-3-benzyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,2-dimethylbenzimidazole-4-carboxamide
CID 118755452
N-[2-cyclobutyl-1-methyl-7-[2-(1-methylimidazol-2-yl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide
CID 45225986
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 135095648
N-[2-cyclobutyl-1-methyl-7-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide
CID 42429744
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylimidazo[2,1-e]pyrazole-7-carboxamide
CID 50956664
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-2-morpholin-4-ylbenzamide
CID 131922274
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylpyrazolo[4,5-b]pyridine-6-carboxamide
CID 156586654
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide
CID 30956722
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 29258499
6-cyclopropyl-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 40799026

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-[(2-methoxyacetyl)amino]-N,3-dimethylbenzimidazole-4-carboxamide?
The IUPAC name of 2-cyclobutyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-[(2-methoxyacetyl)amino]-N,3-dimethylbenzimidazole-4-carboxamide (CID 45198971) is 2-cyclobutyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-[(2-methoxyacetyl)amino]-N,3-dimethylbenzimidazole-4-carboxamide.
What is the SMILES notation for 2-cyclobutyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-[(2-methoxyacetyl)amino]-N,3-dimethylbenzimidazole-4-carboxamide?
The canonical SMILES for 2-cyclobutyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-[(2-methoxyacetyl)amino]-N,3-dimethylbenzimidazole-4-carboxamide is COCC(=O)Nc1cc(C(=O)N(C)CC2Cc3ccccc3O2)c2c(c1)nc(C1CCC1)n2C.
What is the InChIKey of 2-cyclobutyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-[(2-methoxyacetyl)amino]-N,3-dimethylbenzimidazole-4-carboxamide?
The InChIKey is YJYPUUZXYGRXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-29(14-19-11-17-7-4-5-10-22(17)34-19)26(32)20-12-18(27-23(31)15-33-3)13-21-24(20)30(2)25(28-21)16-8-6-9-16/h4-5,7,10,12-13,16,19H,6,8-9,11,14-15H2,1-3H3,(H,27,31).
What are the key properties of 2-cyclobutyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-[(2-methoxyacetyl)amino]-N,3-dimethylbenzimidazole-4-carboxamide?
2-cyclobutyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-[(2-methoxyacetyl)amino]-N,3-dimethylbenzimidazole-4-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-[(2-methoxyacetyl)amino]-N,3-dimethylbenzimidazole-4-carboxamide is sourced from PubChem (CID 45198971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).