N-[2-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide

C23H22N4O4 — CID 3159386

IUPACN-[2-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2ccco2)n3C)cc1
InChIInChI=1S/C23H22N4O4/c1-27-19-10-7-16(25-22(28)15-5-8-17(30-2)9-6-15)14-18(19)26-21(27)11-12-24-23(29)20-4-3-13-31-20/h3-10,13-14H,11-12H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyBQUMDNQYFAEZOW-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.40
Rot. Bonds7

About N-[2-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide

N-[2-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide (PubChem CID 3159386) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-[2-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide
PubChem CID3159386
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC NameN-[2-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2ccco2)n3C)cc1
InChIInChI=1S/C23H22N4O4/c1-27-19-10-7-16(25-22(28)15-5-8-17(30-2)9-6-15)14-18(19)26-21(27)11-12-24-23(29)20-4-3-13-31-20/h3-10,13-14H,11-12H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyBQUMDNQYFAEZOW-UHFFFAOYSA-N
XLogP3.40
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide (CID 3159386) is N-[2-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide is COc1ccc(C(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2ccco2)n3C)cc1.
What is the InChIKey of N-[2-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide?
The InChIKey is BQUMDNQYFAEZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-27-19-10-7-16(25-22(28)15-5-8-17(30-2)9-6-15)14-18(19)26-21(27)11-12-24-23(29)20-4-3-13-31-20/h3-10,13-14H,11-12H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of N-[2-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide?
N-[2-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 418.45 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 3159386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).