6-(3H-benzimidazol-5-ylmethyl)-1H-benzimidazole

C15H12N4 — CID 6484686

IUPAC6-(3H-benzimidazol-5-ylmethyl)-1H-benzimidazole
SMILESc1nc2ccc(Cc3ccc4nc[nH]c4c3)cc2[nH]1
InChIInChI=1S/C15H12N4/c1-3-12-14(18-8-16-12)6-10(1)5-11-2-4-13-15(7-11)19-9-17-13/h1-4,6-9H,5H2,(H,16,18)(H,17,19)
InChIKeyBVYLJPFJEXGWNK-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.03
Rot. Bonds2

About 6-(3H-benzimidazol-5-ylmethyl)-1H-benzimidazole

6-(3H-benzimidazol-5-ylmethyl)-1H-benzimidazole (PubChem CID 6484686) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 6-(3H-benzimidazol-5-ylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(3H-benzimidazol-5-ylmethyl)-1H-benzimidazole
PubChem CID6484686
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name6-(3H-benzimidazol-5-ylmethyl)-1H-benzimidazole
SMILESc1nc2ccc(Cc3ccc4nc[nH]c4c3)cc2[nH]1
InChIInChI=1S/C15H12N4/c1-3-12-14(18-8-16-12)6-10(1)5-11-2-4-13-15(7-11)19-9-17-13/h1-4,6-9H,5H2,(H,16,18)(H,17,19)
InChIKeyBVYLJPFJEXGWNK-UHFFFAOYSA-N
XLogP3.03
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 12132
CID 12132
CID 675
CID 675
CID 12855
CID 12855
CID 60652
CID 60652
CID 11979
CID 11979
CID 16659285
CID 16659285
CID 2387
CID 2387
CID 824226
CID 824226
CID 50921533
CID 50921533
CID 345677
CID 345677
CID 247634
CID 247634
CID 1282
CID 1282

Frequently Asked Questions

What is the IUPAC name of 6-(3H-benzimidazol-5-ylmethyl)-1H-benzimidazole?
The IUPAC name of 6-(3H-benzimidazol-5-ylmethyl)-1H-benzimidazole (CID 6484686) is 6-(3H-benzimidazol-5-ylmethyl)-1H-benzimidazole.
What is the SMILES notation for 6-(3H-benzimidazol-5-ylmethyl)-1H-benzimidazole?
The canonical SMILES for 6-(3H-benzimidazol-5-ylmethyl)-1H-benzimidazole is c1nc2ccc(Cc3ccc4nc[nH]c4c3)cc2[nH]1.
What is the InChIKey of 6-(3H-benzimidazol-5-ylmethyl)-1H-benzimidazole?
The InChIKey is BVYLJPFJEXGWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c1-3-12-14(18-8-16-12)6-10(1)5-11-2-4-13-15(7-11)19-9-17-13/h1-4,6-9H,5H2,(H,16,18)(H,17,19).
What are the key properties of 6-(3H-benzimidazol-5-ylmethyl)-1H-benzimidazole?
6-(3H-benzimidazol-5-ylmethyl)-1H-benzimidazole has a molecular weight of 248.29 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3H-benzimidazol-5-ylmethyl)-1H-benzimidazole is sourced from PubChem (CID 6484686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).