N-[4-[2-[4-chloro-3-(furan-3-yl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide

C25H20ClN5O3 — CID 59790180

IUPACN-[4-[2-[4-chloro-3-(furan-3-yl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc3c(c2)nc(Nc2ccc(Cl)c(-c4ccoc4)c2)n3C)ccn1
InChIInChI=1S/C25H20ClN5O3/c1-15(32)28-24-13-19(7-9-27-24)34-18-4-6-23-22(12-18)30-25(31(23)2)29-17-3-5-21(26)20(11-17)16-8-10-33-14-16/h3-14H,1-2H3,(H,29,30)(H,27,28,32)
InChIKeyBKVVRCIJJADKMD-UHFFFAOYSA-N
MW473.92 g/mol
LogP6.38
Rot. Bonds6

About N-[4-[2-[4-chloro-3-(furan-3-yl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide

N-[4-[2-[4-chloro-3-(furan-3-yl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide (PubChem CID 59790180) has the molecular formula C25H20ClN5O3 and a molecular weight of 473.92 g/mol. Its IUPAC name is N-[4-[2-[4-chloro-3-(furan-3-yl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-chloro-3-(furan-3-yl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
PubChem CID59790180
Molecular FormulaC25H20ClN5O3
Molecular Weight473.92 g/mol
Exact Mass473.13
IUPAC NameN-[4-[2-[4-chloro-3-(furan-3-yl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc3c(c2)nc(Nc2ccc(Cl)c(-c4ccoc4)c2)n3C)ccn1
InChIInChI=1S/C25H20ClN5O3/c1-15(32)28-24-13-19(7-9-27-24)34-18-4-6-23-22(12-18)30-25(31(23)2)29-17-3-5-21(26)20(11-17)16-8-10-33-14-16/h3-14H,1-2H3,(H,29,30)(H,27,28,32)
InChIKeyBKVVRCIJJADKMD-UHFFFAOYSA-N
XLogP6.38
TPSA94.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.92
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[3-(furan-3-yl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22040449
2-amino-N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 59790226
4-[2-(4-chloro-3-thiophen-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen
CID 159945449
N-[4-[2-(4-chloro-3-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-3-(1-methylpiperidin-4-yl)propanamide
CID 59790128
N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(dimethylamino)acetamide
CID 59789972
4-[2-[4-chloro-3-(2-oxopropyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 158016312
N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-methylpiperidin-1-ium-1-carboxamide
CID 22040515
5-[(2-amino-4-pyridinyl)oxy]-N-(4-chlorophenyl)-1-methylbenzimidazol-2-amine
CID 69290969
N-[4-[2-(4-chloro-3-propan-2-ylanilino)-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 69034357
2-[4-[2-(4-chloro-3-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 161210208
N-[4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]-2-pyrrolidin-1-ylacetamide
CID 59790124
N-methyl-4-[1-methyl-2-[4-(methylamino)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041311

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-chloro-3-(furan-3-yl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-[4-chloro-3-(furan-3-yl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide (CID 59790180) is N-[4-[2-[4-chloro-3-(furan-3-yl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-[4-chloro-3-(furan-3-yl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-[4-chloro-3-(furan-3-yl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2ccc3c(c2)nc(Nc2ccc(Cl)c(-c4ccoc4)c2)n3C)ccn1.
What is the InChIKey of N-[4-[2-[4-chloro-3-(furan-3-yl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
The InChIKey is BKVVRCIJJADKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O3/c1-15(32)28-24-13-19(7-9-27-24)34-18-4-6-23-22(12-18)30-25(31(23)2)29-17-3-5-21(26)20(11-17)16-8-10-33-14-16/h3-14H,1-2H3,(H,29,30)(H,27,28,32).
What are the key properties of N-[4-[2-[4-chloro-3-(furan-3-yl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
N-[4-[2-[4-chloro-3-(furan-3-yl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 473.92 g/mol, XLogP of 6.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-chloro-3-(furan-3-yl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 59790180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).