2-[4-[hydroxy(thiophen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide

C19H15N3O2S — CID 11163899

IUPAC2-[4-[hydroxy(thiophen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(C(O)c4cccs4)cc3)[nH]c2c1
InChIInChI=1S/C19H15N3O2S/c20-18(24)13-7-8-14-15(10-13)22-19(21-14)12-5-3-11(4-6-12)17(23)16-2-1-9-25-16/h1-10,17,23H,(H2,20,24)(H,21,22)
InChIKeyNHVYYCIVOWSNGO-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.47
Rot. Bonds4

About 2-[4-[hydroxy(thiophen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide

2-[4-[hydroxy(thiophen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11163899) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-[4-[hydroxy(thiophen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[hydroxy(thiophen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11163899
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name2-[4-[hydroxy(thiophen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(C(O)c4cccs4)cc3)[nH]c2c1
InChIInChI=1S/C19H15N3O2S/c20-18(24)13-7-8-14-15(10-13)22-19(21-14)12-5-3-11(4-6-12)17(23)16-2-1-9-25-16/h1-10,17,23H,(H2,20,24)(H,21,22)
InChIKeyNHVYYCIVOWSNGO-UHFFFAOYSA-N
XLogP3.47
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[hydroxy(thiophen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[hydroxy(thiophen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide (CID 11163899) is 2-[4-[hydroxy(thiophen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[hydroxy(thiophen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[hydroxy(thiophen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(C(O)c4cccs4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[hydroxy(thiophen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is NHVYYCIVOWSNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c20-18(24)13-7-8-14-15(10-13)22-19(21-14)12-5-3-11(4-6-12)17(23)16-2-1-9-25-16/h1-10,17,23H,(H2,20,24)(H,21,22).
What are the key properties of 2-[4-[hydroxy(thiophen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[hydroxy(thiophen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[hydroxy(thiophen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11163899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).