2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole

C16H14N4 — CID 659092

IUPAC2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole
SMILESCn1c(Cn2cnc3ccccc32)nc2ccccc21
InChIInChI=1S/C16H14N4/c1-19-14-8-4-3-7-13(14)18-16(19)10-20-11-17-12-6-2-5-9-15(12)20/h2-9,11H,10H2,1H3
InChIKeyJZUUGEDUIPRGQI-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.97
Rot. Bonds2

About 2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole

2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole (PubChem CID 659092) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole.

Molecular Properties

Compound Name2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole
PubChem CID659092
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole
SMILESCn1c(Cn2cnc3ccccc32)nc2ccccc21
InChIInChI=1S/C16H14N4/c1-19-14-8-4-3-7-13(14)18-16(19)10-20-11-17-12-6-2-5-9-15(12)20/h2-9,11H,10H2,1H3
InChIKeyJZUUGEDUIPRGQI-UHFFFAOYSA-N
XLogP2.97
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]benzimidazole
CID 112684885
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
4-[2-(benzimidazol-1-ylmethyl)benzimidazol-1-yl]butanoic acid
CID 142757356
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
CID 830343
3-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]quinazolin-4-one
CID 47037876
1-[(2-methyltriazol-4-yl)methyl]benzimidazole
CID 166839285
4-(benzimidazol-1-ylmethyl)-1,3-dimethylpyrazol-5-amine
CID 62209553
2-(4-chlorobutyl)-1-methylbenzimidazole
CID 43142612
1-methyl-2-[[(1S,4S)-5-[(1-methylbenzimidazol-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzimidazole
CID 102484209
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole?
The IUPAC name of 2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole (CID 659092) is 2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole.
What is the SMILES notation for 2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole?
The canonical SMILES for 2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole is Cn1c(Cn2cnc3ccccc32)nc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole?
The InChIKey is JZUUGEDUIPRGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-19-14-8-4-3-7-13(14)18-16(19)10-20-11-17-12-6-2-5-9-15(12)20/h2-9,11H,10H2,1H3.
What are the key properties of 2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole?
2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole has a molecular weight of 262.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole is sourced from PubChem (CID 659092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).