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

C25H19N3O2 — CID 11474863

IUPAC2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(C(O)c4ccc5ccccc5c4)cc3)[nH]c2c1
InChIInChI=1S/C25H19N3O2/c26-24(30)20-11-12-21-22(14-20)28-25(27-21)17-8-6-16(7-9-17)23(29)19-10-5-15-3-1-2-4-18(15)13-19/h1-14,23,29H,(H2,26,30)(H,27,28)
InChIKeyAOCMQUIOWJAKCR-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.56
Rot. Bonds4

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

2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11474863) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11474863
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(C(O)c4ccc5ccccc5c4)cc3)[nH]c2c1
InChIInChI=1S/C25H19N3O2/c26-24(30)20-11-12-21-22(14-20)28-25(27-21)17-8-6-16(7-9-17)23(29)19-10-5-15-3-1-2-4-18(15)13-19/h1-14,23,29H,(H2,26,30)(H,27,28)
InChIKeyAOCMQUIOWJAKCR-UHFFFAOYSA-N
XLogP4.56
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide (CID 11474863) is 2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(C(O)c4ccc5ccccc5c4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is AOCMQUIOWJAKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c26-24(30)20-11-12-21-22(14-20)28-25(27-21)17-8-6-16(7-9-17)23(29)19-10-5-15-3-1-2-4-18(15)13-19/h1-14,23,29H,(H2,26,30)(H,27,28).
What are the key properties of 2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 4.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11474863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).