2-[2-(1H-benzimidazol-2-ylmethyl)phenyl]-1H-benzimidazole

C21H16N4 — CID 86342200

IUPAC2-[2-(1H-benzimidazol-2-ylmethyl)phenyl]-1H-benzimidazole
SMILESc1ccc(-c2nc3ccccc3[nH]2)c(Cc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C21H16N4/c1-2-8-15(21-24-18-11-5-6-12-19(18)25-21)14(7-1)13-20-22-16-9-3-4-10-17(16)23-20/h1-12H,13H2,(H,22,23)(H,24,25)
InChIKeyPAIUPECPZXWTQN-UHFFFAOYSA-N
MW324.39 g/mol
LogP4.70
Rot. Bonds3

About 2-[2-(1H-benzimidazol-2-ylmethyl)phenyl]-1H-benzimidazole

2-[2-(1H-benzimidazol-2-ylmethyl)phenyl]-1H-benzimidazole (PubChem CID 86342200) has the molecular formula C21H16N4 and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-[2-(1H-benzimidazol-2-ylmethyl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(1H-benzimidazol-2-ylmethyl)phenyl]-1H-benzimidazole
PubChem CID86342200
Molecular FormulaC21H16N4
Molecular Weight324.39 g/mol
Exact Mass324.14
IUPAC Name2-[2-(1H-benzimidazol-2-ylmethyl)phenyl]-1H-benzimidazole
SMILESc1ccc(-c2nc3ccccc3[nH]2)c(Cc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C21H16N4/c1-2-8-15(21-24-18-11-5-6-12-19(18)25-21)14(7-1)13-20-22-16-9-3-4-10-17(16)23-20/h1-12H,13H2,(H,22,23)(H,24,25)
InChIKeyPAIUPECPZXWTQN-UHFFFAOYSA-N
XLogP4.70
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 168553825
bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
CID 139068471
copper bis(2-(1H-benzimidazol-2-yl)phenolate)
CID 134105250
4-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]thiomorpholine
CID 168553666
2-(1H-benzimidazol-2-yl)aniline;dihydrochloride
CID 133057606
2-[2-[(3,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole
CID 168553858
2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole
CID 62537868
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
2-[2-[5-[2-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole
CID 25255578
CID 58296357
CID 58296357
2-(1H-benzimidazol-2-yl)acetonitrile
CID 53446454
8-(1H-benzimidazol-2-yl)-3-ethyl-2-methylquinoline
CID 141290230

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-benzimidazol-2-ylmethyl)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[2-(1H-benzimidazol-2-ylmethyl)phenyl]-1H-benzimidazole (CID 86342200) is 2-[2-(1H-benzimidazol-2-ylmethyl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-(1H-benzimidazol-2-ylmethyl)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-(1H-benzimidazol-2-ylmethyl)phenyl]-1H-benzimidazole is c1ccc(-c2nc3ccccc3[nH]2)c(Cc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[2-(1H-benzimidazol-2-ylmethyl)phenyl]-1H-benzimidazole?
The InChIKey is PAIUPECPZXWTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4/c1-2-8-15(21-24-18-11-5-6-12-19(18)25-21)14(7-1)13-20-22-16-9-3-4-10-17(16)23-20/h1-12H,13H2,(H,22,23)(H,24,25).
What are the key properties of 2-[2-(1H-benzimidazol-2-ylmethyl)phenyl]-1H-benzimidazole?
2-[2-(1H-benzimidazol-2-ylmethyl)phenyl]-1H-benzimidazole has a molecular weight of 324.39 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-benzimidazol-2-ylmethyl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 86342200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).