N-[1-amino-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide

C23H21N5O3 — CID 18685998

IUPACN-[1-amino-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
SMILESNC(=O)C(CCc1ccc(O)cc1)NC(=O)c1ccc2nc(-c3ccncc3)[nH]c2c1
InChIInChI=1S/C23H21N5O3/c24-21(30)19(7-3-14-1-5-17(29)6-2-14)28-23(31)16-4-8-18-20(13-16)27-22(26-18)15-9-11-25-12-10-15/h1-2,4-6,8-13,19,29H,3,7H2,(H2,24,30)(H,26,27)(H,28,31)
InChIKeyWLHAYLDKIJLHEI-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.55
Rot. Bonds7

About N-[1-amino-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide

N-[1-amino-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide (PubChem CID 18685998) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[1-amino-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-amino-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
PubChem CID18685998
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC NameN-[1-amino-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
SMILESNC(=O)C(CCc1ccc(O)cc1)NC(=O)c1ccc2nc(-c3ccncc3)[nH]c2c1
InChIInChI=1S/C23H21N5O3/c24-21(30)19(7-3-14-1-5-17(29)6-2-14)28-23(31)16-4-8-18-20(13-16)27-22(26-18)15-9-11-25-12-10-15/h1-2,4-6,8-13,19,29H,3,7H2,(H2,24,30)(H,26,27)(H,28,31)
InChIKeyWLHAYLDKIJLHEI-UHFFFAOYSA-N
XLogP2.55
TPSA133.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[1-amino-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-amino-1-oxo-4-phenylbutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 59879984
N-[1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18685990
N-[1-amino-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18685953
N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 59880041
N-(1-morpholin-4-yl-1-oxo-4-phenylbutan-2-yl)-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18686016
N-[(2S)-1-morpholin-4-yl-1-oxo-4-phenylbutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 59880086
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18685984
N-[4-(3-cyanophenyl)-1-(methylamino)-1-oxobutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 142034878
N-[1-amino-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18686024
methyl 2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]-3-pyrimidin-2-ylsulfanylpropanoate
CID 18685915
methyl 3-(benzenesulfinyl)-2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]propanoate
CID 18685918
N-[1-(2-fluoroethylamino)-1-oxo-3-phenylsulfanylpropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18685925

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[1-amino-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide (CID 18685998) is N-[1-amino-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[1-amino-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[1-amino-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide is NC(=O)C(CCc1ccc(O)cc1)NC(=O)c1ccc2nc(-c3ccncc3)[nH]c2c1.
What is the InChIKey of N-[1-amino-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide?
The InChIKey is WLHAYLDKIJLHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c24-21(30)19(7-3-14-1-5-17(29)6-2-14)28-23(31)16-4-8-18-20(13-16)27-22(26-18)15-9-11-25-12-10-15/h1-2,4-6,8-13,19,29H,3,7H2,(H2,24,30)(H,26,27)(H,28,31).
What are the key properties of N-[1-amino-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide?
N-[1-amino-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 2.55, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 18685998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).