4-[1-[4-[[hydroxy(phenoxy)methyl]amino]phenyl]benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide

C27H23N5O4 — CID 137487951

IUPAC4-[1-[4-[[hydroxy(phenoxy)methyl]amino]phenyl]benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)ncn3-c2ccc(NC(O)Oc3ccccc3)cc2)ccn1
InChIInChI=1S/C27H23N5O4/c1-28-26(33)24-16-22(13-14-29-24)35-21-11-12-25-23(15-21)30-17-32(25)19-9-7-18(8-10-19)31-27(34)36-20-5-3-2-4-6-20/h2-17,27,31,34H,1H3,(H,28,33)
InChIKeyHMIPLXJFIXDTJL-UHFFFAOYSA-N
MW481.51 g/mol
LogP4.34
Rot. Bonds8

About 4-[1-[4-[[hydroxy(phenoxy)methyl]amino]phenyl]benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide

4-[1-[4-[[hydroxy(phenoxy)methyl]amino]phenyl]benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 137487951) has the molecular formula C27H23N5O4 and a molecular weight of 481.51 g/mol. Its IUPAC name is 4-[1-[4-[[hydroxy(phenoxy)methyl]amino]phenyl]benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[1-[4-[[hydroxy(phenoxy)methyl]amino]phenyl]benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID137487951
Molecular FormulaC27H23N5O4
Molecular Weight481.51 g/mol
Exact Mass481.18
IUPAC Name4-[1-[4-[[hydroxy(phenoxy)methyl]amino]phenyl]benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)ncn3-c2ccc(NC(O)Oc3ccccc3)cc2)ccn1
InChIInChI=1S/C27H23N5O4/c1-28-26(33)24-16-22(13-14-29-24)35-21-11-12-25-23(15-21)30-17-32(25)19-9-7-18(8-10-19)31-27(34)36-20-5-3-2-4-6-20/h2-17,27,31,34H,1H3,(H,28,33)
InChIKeyHMIPLXJFIXDTJL-UHFFFAOYSA-N
XLogP4.34
TPSA110.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[1-methyl-2-[4-(methylamino)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041311
N-methyl-4-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)oxypyridine-2-carboxamide;molecular hydrogen
CID 164540019
N-methyl-4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041171
N-methyl-4-[1-methyl-2-(3-phenylmethoxyanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040628
N-methyl-4-[1-methyl-2-[4-(propan-2-ylcarbamoyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040471
phenyl N-[4-[5-(2-methoxyethoxy)benzimidazol-1-yl]phenyl]carbamate
CID 130424447
4-[2-[4-(dimethylamino)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 21037270
phenyl N-[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamate
CID 174930301
4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 57399505
N-methyl-4-[1-methyl-2-[4-(4-nitrophenoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040422
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
4-[2-(3-imidazol-1-ylpropylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22040660

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[[hydroxy(phenoxy)methyl]amino]phenyl]benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[1-[4-[[hydroxy(phenoxy)methyl]amino]phenyl]benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide (CID 137487951) is 4-[1-[4-[[hydroxy(phenoxy)methyl]amino]phenyl]benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[1-[4-[[hydroxy(phenoxy)methyl]amino]phenyl]benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[1-[4-[[hydroxy(phenoxy)methyl]amino]phenyl]benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)ncn3-c2ccc(NC(O)Oc3ccccc3)cc2)ccn1.
What is the InChIKey of 4-[1-[4-[[hydroxy(phenoxy)methyl]amino]phenyl]benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is HMIPLXJFIXDTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O4/c1-28-26(33)24-16-22(13-14-29-24)35-21-11-12-25-23(15-21)30-17-32(25)19-9-7-18(8-10-19)31-27(34)36-20-5-3-2-4-6-20/h2-17,27,31,34H,1H3,(H,28,33).
What are the key properties of 4-[1-[4-[[hydroxy(phenoxy)methyl]amino]phenyl]benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
4-[1-[4-[[hydroxy(phenoxy)methyl]amino]phenyl]benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 481.51 g/mol, XLogP of 4.34, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[[hydroxy(phenoxy)methyl]amino]phenyl]benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 137487951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).