N-(1H-benzimidazol-2-yl)-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide

C25H17N5O — CID 11857992

IUPACN-(1H-benzimidazol-2-yl)-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1ccc2nc(-c3ccc4ccccc4c3)[nH]c2c1
InChIInChI=1S/C25H17N5O/c31-24(30-25-28-19-7-3-4-8-20(19)29-25)18-11-12-21-22(14-18)27-23(26-21)17-10-9-15-5-1-2-6-16(15)13-17/h1-14H,(H,26,27)(H2,28,29,30,31)
InChIKeyKNAXPDGBZIEBTP-UHFFFAOYSA-N
MW403.45 g/mol
LogP5.51
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide

N-(1H-benzimidazol-2-yl)-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide (PubChem CID 11857992) has the molecular formula C25H17N5O and a molecular weight of 403.45 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide
PubChem CID11857992
Molecular FormulaC25H17N5O
Molecular Weight403.45 g/mol
Exact Mass403.14
IUPAC NameN-(1H-benzimidazol-2-yl)-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1ccc2nc(-c3ccc4ccccc4c3)[nH]c2c1
InChIInChI=1S/C25H17N5O/c31-24(30-25-28-19-7-3-4-8-20(19)29-25)18-11-12-21-22(14-18)27-23(26-21)17-10-9-15-5-1-2-6-16(15)13-17/h1-14H,(H,26,27)(H2,28,29,30,31)
InChIKeyKNAXPDGBZIEBTP-UHFFFAOYSA-N
XLogP5.51
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.45
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 17100747

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide (CID 11857992) is N-(1H-benzimidazol-2-yl)-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide is O=C(Nc1nc2ccccc2[nH]1)c1ccc2nc(-c3ccc4ccccc4c3)[nH]c2c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide?
The InChIKey is KNAXPDGBZIEBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N5O/c31-24(30-25-28-19-7-3-4-8-20(19)29-25)18-11-12-21-22(14-18)27-23(26-21)17-10-9-15-5-1-2-6-16(15)13-17/h1-14H,(H,26,27)(H2,28,29,30,31).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide?
N-(1H-benzimidazol-2-yl)-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 5.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11857992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).