2-[[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]amino]-N-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide

C19H17F2N5O4 — CID 155083624

IUPAC2-[[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]amino]-N-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide
SMILESCn1c(Nc2nc3ccc(OC(F)F)cc3o2)nc2cc(C(=O)NCCO)ccc21
InChIInChI=1S/C19H17F2N5O4/c1-26-14-5-2-10(16(28)22-6-7-27)8-13(14)23-18(26)25-19-24-12-4-3-11(29-17(20)21)9-15(12)30-19/h2-5,8-9,17,27H,6-7H2,1H3,(H,22,28)(H,23,24,25)
InChIKeyZSXOPWSBXZHLPP-UHFFFAOYSA-N
MW417.37 g/mol
LogP2.78
Rot. Bonds7

About 2-[[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]amino]-N-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide

2-[[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]amino]-N-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide (PubChem CID 155083624) has the molecular formula C19H17F2N5O4 and a molecular weight of 417.37 g/mol. Its IUPAC name is 2-[[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]amino]-N-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]amino]-N-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide
PubChem CID155083624
Molecular FormulaC19H17F2N5O4
Molecular Weight417.37 g/mol
Exact Mass417.12
IUPAC Name2-[[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]amino]-N-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide
SMILESCn1c(Nc2nc3ccc(OC(F)F)cc3o2)nc2cc(C(=O)NCCO)ccc21
InChIInChI=1S/C19H17F2N5O4/c1-26-14-5-2-10(16(28)22-6-7-27)8-13(14)23-18(26)25-19-24-12-4-3-11(29-17(20)21)9-15(12)30-19/h2-5,8-9,17,27H,6-7H2,1H3,(H,22,28)(H,23,24,25)
InChIKeyZSXOPWSBXZHLPP-UHFFFAOYSA-N
XLogP2.78
TPSA114.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.37
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]amino]-N-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide with MolForge

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Related Compounds

US20230295140, Example 56
CID 146453890
US20230295140, Example 80
CID 146453942
US20230295140, Example 53
CID 146454013
US20230295140, Example 57
CID 146453996
US20240051952, Example 95
CID 155083566
US20240051952, Example 71
CID 155083571
US20240051952, Example 66
CID 155083574
US20240051952, Example 41
CID 155083586
US20240051952, Example 130
CID 155083591
US20240051952, Example 126
CID 155083592
US20240051952, Example 49
CID 155083602
US20240051952, Example 139
CID 155083604

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]amino]-N-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of 2-[[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]amino]-N-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide (CID 155083624) is 2-[[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]amino]-N-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-[[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]amino]-N-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-[[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]amino]-N-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide is Cn1c(Nc2nc3ccc(OC(F)F)cc3o2)nc2cc(C(=O)NCCO)ccc21.
What is the InChIKey of 2-[[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]amino]-N-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide?
The InChIKey is ZSXOPWSBXZHLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O4/c1-26-14-5-2-10(16(28)22-6-7-27)8-13(14)23-18(26)25-19-24-12-4-3-11(29-17(20)21)9-15(12)30-19/h2-5,8-9,17,27H,6-7H2,1H3,(H,22,28)(H,23,24,25).
What are the key properties of 2-[[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]amino]-N-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide?
2-[[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]amino]-N-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide has a molecular weight of 417.37 g/mol, XLogP of 2.78, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]amino]-N-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 155083624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).