7-[(4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl)amino]-N,N,2,3-tetramethylbenzimidazole-5-carboxamide

C20H20F2N4O2 — CID 25024510

IUPAC7-[(4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl)amino]-N,N,2,3-tetramethylbenzimidazole-5-carboxamide
SMILESCc1nc2c(NC3COc4cc(F)cc(F)c43)cc(C(=O)N(C)C)cc2n1C
InChIInChI=1S/C20H20F2N4O2/c1-10-23-19-14(5-11(20(27)25(2)3)6-16(19)26(10)4)24-15-9-28-17-8-12(21)7-13(22)18(15)17/h5-8,15,24H,9H2,1-4H3
InChIKeyYCCPXNFKUCQWHE-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.41
Rot. Bonds3

About 7-[(4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl)amino]-N,N,2,3-tetramethylbenzimidazole-5-carboxamide

7-[(4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl)amino]-N,N,2,3-tetramethylbenzimidazole-5-carboxamide (PubChem CID 25024510) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is 7-[(4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl)amino]-N,N,2,3-tetramethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-[(4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl)amino]-N,N,2,3-tetramethylbenzimidazole-5-carboxamide
PubChem CID25024510
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Name7-[(4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl)amino]-N,N,2,3-tetramethylbenzimidazole-5-carboxamide
SMILESCc1nc2c(NC3COc4cc(F)cc(F)c43)cc(C(=O)N(C)C)cc2n1C
InChIInChI=1S/C20H20F2N4O2/c1-10-23-19-14(5-11(20(27)25(2)3)6-16(19)26(10)4)24-15-9-28-17-8-12(21)7-13(22)18(15)17/h5-8,15,24H,9H2,1-4H3
InChIKeyYCCPXNFKUCQWHE-UHFFFAOYSA-N
XLogP3.41
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl)amino]-N,N,2,3-tetramethylbenzimidazole-5-carboxamide?
The IUPAC name of 7-[(4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl)amino]-N,N,2,3-tetramethylbenzimidazole-5-carboxamide (CID 25024510) is 7-[(4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl)amino]-N,N,2,3-tetramethylbenzimidazole-5-carboxamide.
What is the SMILES notation for 7-[(4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl)amino]-N,N,2,3-tetramethylbenzimidazole-5-carboxamide?
The canonical SMILES for 7-[(4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl)amino]-N,N,2,3-tetramethylbenzimidazole-5-carboxamide is Cc1nc2c(NC3COc4cc(F)cc(F)c43)cc(C(=O)N(C)C)cc2n1C.
What is the InChIKey of 7-[(4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl)amino]-N,N,2,3-tetramethylbenzimidazole-5-carboxamide?
The InChIKey is YCCPXNFKUCQWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2/c1-10-23-19-14(5-11(20(27)25(2)3)6-16(19)26(10)4)24-15-9-28-17-8-12(21)7-13(22)18(15)17/h5-8,15,24H,9H2,1-4H3.
What are the key properties of 7-[(4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl)amino]-N,N,2,3-tetramethylbenzimidazole-5-carboxamide?
7-[(4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl)amino]-N,N,2,3-tetramethylbenzimidazole-5-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl)amino]-N,N,2,3-tetramethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 25024510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).