2-(1H-benzimidazol-2-ylmethoxymethyl)-1H-benzimidazole

C16H14N4O — CID 2772764

IUPAC2-(1H-benzimidazol-2-ylmethoxymethyl)-1H-benzimidazole
SMILESc1ccc2[nH]c(COCc3nc4ccccc4[nH]3)nc2c1
InChIInChI=1S/C16H14N4O/c1-2-6-12-11(5-1)17-15(18-12)9-21-10-16-19-13-7-3-4-8-14(13)20-16/h1-8H,9-10H2,(H,17,18)(H,19,20)
InChIKeyARJVRZCHBXVMAC-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.16
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylmethoxymethyl)-1H-benzimidazole

2-(1H-benzimidazol-2-ylmethoxymethyl)-1H-benzimidazole (PubChem CID 2772764) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylmethoxymethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylmethoxymethyl)-1H-benzimidazole
PubChem CID2772764
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name2-(1H-benzimidazol-2-ylmethoxymethyl)-1H-benzimidazole
SMILESc1ccc2[nH]c(COCc3nc4ccccc4[nH]3)nc2c1
InChIInChI=1S/C16H14N4O/c1-2-6-12-11(5-1)17-15(18-12)9-21-10-16-19-13-7-3-4-8-14(13)20-16/h1-8H,9-10H2,(H,17,18)(H,19,20)
InChIKeyARJVRZCHBXVMAC-UHFFFAOYSA-N
XLogP3.16
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methylbenzimidazole
CID 11984
Benzimidazole, 2-butyl-
CID 22122
2-Ethylbenzimidazole
CID 15807
Bis(5-amidino-2-benzimidazolyl)methane
CID 2387
2-(Hydroxymethyl)-1H-benzimidazole
CID 78569
Hemi-Babim
CID 1282
2-Benzimidazolepropanol
CID 75470
2-Propyl-1H-benzimidazole
CID 21624
N-(1H-Benzoimidazol-2-yl)-benzene-1,2-diamine
CID 672245
1H,1'H-2,2'-Bibenzimidazole
CID 249097
Tris(2-benzimidazolylmethyl)amine
CID 623893
2,6-Bis(benzimidazol-2-yl)pyridine
CID 738986

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylmethoxymethyl)-1H-benzimidazole?
The IUPAC name of 2-(1H-benzimidazol-2-ylmethoxymethyl)-1H-benzimidazole (CID 2772764) is 2-(1H-benzimidazol-2-ylmethoxymethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylmethoxymethyl)-1H-benzimidazole?
The canonical SMILES for 2-(1H-benzimidazol-2-ylmethoxymethyl)-1H-benzimidazole is c1ccc2[nH]c(COCc3nc4ccccc4[nH]3)nc2c1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylmethoxymethyl)-1H-benzimidazole?
The InChIKey is ARJVRZCHBXVMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-2-6-12-11(5-1)17-15(18-12)9-21-10-16-19-13-7-3-4-8-14(13)20-16/h1-8H,9-10H2,(H,17,18)(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylmethoxymethyl)-1H-benzimidazole?
2-(1H-benzimidazol-2-ylmethoxymethyl)-1H-benzimidazole has a molecular weight of 278.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylmethoxymethyl)-1H-benzimidazole is sourced from PubChem (CID 2772764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).