N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide

C19H21N3O3 — CID 111423702

IUPACN-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESCC(C)Oc1cccc(C(O)CNC(=O)c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C19H21N3O3/c1-12(2)25-15-5-3-4-13(8-15)18(23)10-20-19(24)14-6-7-16-17(9-14)22-11-21-16/h3-9,11-12,18,23H,10H2,1-2H3,(H,20,24)(H,21,22)
InChIKeySEJKMBIOCZOUHK-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.81
Rot. Bonds6

About N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide

N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 111423702) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
PubChem CID111423702
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESCC(C)Oc1cccc(C(O)CNC(=O)c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C19H21N3O3/c1-12(2)25-15-5-3-4-13(8-15)18(23)10-20-19(24)14-6-7-16-17(9-14)22-11-21-16/h3-9,11-12,18,23H,10H2,1-2H3,(H,20,24)(H,21,22)
InChIKeySEJKMBIOCZOUHK-UHFFFAOYSA-N
XLogP2.81
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 119328600
N-[2-(4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 38503100
3-(3H-benzimidazole-5-carbonylamino)-2-hydroxypropanoic acid
CID 66166620
methyl (2S)-2-amino-3-(3H-benzimidazole-5-carbonylamino)propanoate
CID 170637258
N-(2-aminobutyl)-3H-benzimidazole-5-carboxamide
CID 63731791
methyl (2S)-3-(3H-benzimidazole-5-carbonylamino)-2-(methylamino)propanoate
CID 170637256
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2,4-dimethylbenzamide
CID 111423693
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3H-benzimidazole-5-carboxamide
CID 111110998
N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 62635083
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 111423771
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylfuran-3-carboxamide
CID 111423746

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide (CID 111423702) is N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide is CC(C)Oc1cccc(C(O)CNC(=O)c2ccc3nc[nH]c3c2)c1.
What is the InChIKey of N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is SEJKMBIOCZOUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12(2)25-15-5-3-4-13(8-15)18(23)10-20-19(24)14-6-7-16-17(9-14)22-11-21-16/h3-9,11-12,18,23H,10H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide?
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 111423702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).