N-(2-hydroxybutyl)-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide

C24H24N4O3 — CID 143457947

IUPACN-(2-hydroxybutyl)-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESCCC(O)CNC(=O)c1ccc2nc(-c3cccc(-c4cccnc4OC)c3)[nH]c2c1
InChIInChI=1S/C24H24N4O3/c1-3-18(29)14-26-23(30)17-9-10-20-21(13-17)28-22(27-20)16-7-4-6-15(12-16)19-8-5-11-25-24(19)31-2/h4-13,18,29H,3,14H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyWBBKACQMNZKIJK-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.80
Rot. Bonds7

About N-(2-hydroxybutyl)-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide

N-(2-hydroxybutyl)-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 143457947) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(2-hydroxybutyl)-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxybutyl)-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID143457947
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-(2-hydroxybutyl)-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESCCC(O)CNC(=O)c1ccc2nc(-c3cccc(-c4cccnc4OC)c3)[nH]c2c1
InChIInChI=1S/C24H24N4O3/c1-3-18(29)14-26-23(30)17-9-10-20-21(13-17)28-22(27-20)16-7-4-6-15(12-16)19-8-5-11-25-24(19)31-2/h4-13,18,29H,3,14H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyWBBKACQMNZKIJK-UHFFFAOYSA-N
XLogP3.80
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 71194257
2-[3-(2-methoxy-3-pyridinyl)phenyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 71194262
N-[3-amino-2-(N-ethyl-C-methylcarbonimidoyl)but-2-enyl]-2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 173497614
methyl 4-[(2R)-2-[[2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carbonyl]amino]propyl]imidazole-1-carboxylate
CID 136595507
methyl 2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]-3-pyrimidin-2-ylsulfanylpropanoate
CID 18685915
methyl 2-(3-ethoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902839
2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110766091
N-(3-amino-4-methanimidoylphenyl)-2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 143458156
2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide
CID 137120394
methyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate
CID 56737080
2-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-carbohydrazide
CID 91902915
N-hydroxy-2-(3-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690127

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxybutyl)-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2-hydroxybutyl)-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide (CID 143457947) is N-(2-hydroxybutyl)-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxybutyl)-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxybutyl)-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide is CCC(O)CNC(=O)c1ccc2nc(-c3cccc(-c4cccnc4OC)c3)[nH]c2c1.
What is the InChIKey of N-(2-hydroxybutyl)-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is WBBKACQMNZKIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-3-18(29)14-26-23(30)17-9-10-20-21(13-17)28-22(27-20)16-7-4-6-15(12-16)19-8-5-11-25-24(19)31-2/h4-13,18,29H,3,14H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of N-(2-hydroxybutyl)-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide?
N-(2-hydroxybutyl)-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 3.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxybutyl)-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 143457947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).