N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide

C21H22N4O4 — CID 42528796

IUPACN-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide
SMILESCOCCc1nc2ccc(C(=O)NCCc3nc4ccc(OC)cc4[nH]3)cc2o1
InChIInChI=1S/C21H22N4O4/c1-27-10-8-20-25-16-5-3-13(11-18(16)29-20)21(26)22-9-7-19-23-15-6-4-14(28-2)12-17(15)24-19/h3-6,11-12H,7-10H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyOGBLWXJVKFHQHB-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.87
Rot. Bonds8

About N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide

N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 42528796) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide
PubChem CID42528796
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide
SMILESCOCCc1nc2ccc(C(=O)NCCc3nc4ccc(OC)cc4[nH]3)cc2o1
InChIInChI=1S/C21H22N4O4/c1-27-10-8-20-25-16-5-3-13(11-18(16)29-20)21(26)22-9-7-19-23-15-6-4-14(28-2)12-17(15)24-19/h3-6,11-12H,7-10H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyOGBLWXJVKFHQHB-UHFFFAOYSA-N
XLogP2.87
TPSA102.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide with MolForge

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Related Compounds

2-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 53089347
2-ethyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 110765503
2-[(4-methoxyphenyl)methyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 72888275
2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide
CID 110765504
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765255
2-[(4-methoxyphenyl)methyl]-N-(3-methylsulfanylpropyl)-1,3-benzoxazole-6-carboxamide
CID 25302746
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]thiomorpholine-4-carboxamide
CID 119069776
2-cyclohexyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide
CID 42195933
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyclohexyl-1,3-benzoxazole-6-carboxamide
CID 42596394
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
CID 65017857
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 110711801

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide (CID 42528796) is N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide is COCCc1nc2ccc(C(=O)NCCc3nc4ccc(OC)cc4[nH]3)cc2o1.
What is the InChIKey of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is OGBLWXJVKFHQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-27-10-8-20-25-16-5-3-13(11-18(16)29-20)21(26)22-9-7-19-23-15-6-4-14(28-2)12-17(15)24-19/h3-6,11-12H,7-10H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide?
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 42528796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).