4-[2-(benzimidazol-1-ylmethyl)benzimidazol-1-yl]butanoic acid

C19H18N4O2 — CID 142757356

IUPAC4-[2-(benzimidazol-1-ylmethyl)benzimidazol-1-yl]butanoic acid
SMILESO=C(O)CCCn1c(Cn2cnc3ccccc32)nc2ccccc21
InChIInChI=1S/C19H18N4O2/c24-19(25)10-5-11-23-17-9-4-2-7-15(17)21-18(23)12-22-13-20-14-6-1-3-8-16(14)22/h1-4,6-9,13H,5,10-12H2,(H,24,25)
InChIKeyGVVYTLGNHBRTLW-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.30
Rot. Bonds6

About 4-[2-(benzimidazol-1-ylmethyl)benzimidazol-1-yl]butanoic acid

4-[2-(benzimidazol-1-ylmethyl)benzimidazol-1-yl]butanoic acid (PubChem CID 142757356) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-[2-(benzimidazol-1-ylmethyl)benzimidazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-(benzimidazol-1-ylmethyl)benzimidazol-1-yl]butanoic acid
PubChem CID142757356
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name4-[2-(benzimidazol-1-ylmethyl)benzimidazol-1-yl]butanoic acid
SMILESO=C(O)CCCn1c(Cn2cnc3ccccc32)nc2ccccc21
InChIInChI=1S/C19H18N4O2/c24-19(25)10-5-11-23-17-9-4-2-7-15(17)21-18(23)12-22-13-20-14-6-1-3-8-16(14)22/h1-4,6-9,13H,5,10-12H2,(H,24,25)
InChIKeyGVVYTLGNHBRTLW-UHFFFAOYSA-N
XLogP3.30
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole
CID 659092
3-[2-(diethylaminomethyl)benzimidazol-1-yl]propanoic acid
CID 82310964
6-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]hexanoic acid
CID 15956454
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818
3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
CID 53347020
3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid
CID 82144764
4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride
CID 71828515
4-[2-(3-methylphenyl)benzimidazol-1-yl]butanoic acid
CID 82149999
5-(2-pentan-3-ylbenzimidazol-1-yl)pentanoic acid
CID 82150158
6-(1-methylbenzimidazol-2-yl)-5-oxohexanoic acid
CID 58580438
[1-(4-phenoxybutyl)benzimidazol-2-yl]methanol
CID 2945062

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzimidazol-1-ylmethyl)benzimidazol-1-yl]butanoic acid?
The IUPAC name of 4-[2-(benzimidazol-1-ylmethyl)benzimidazol-1-yl]butanoic acid (CID 142757356) is 4-[2-(benzimidazol-1-ylmethyl)benzimidazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[2-(benzimidazol-1-ylmethyl)benzimidazol-1-yl]butanoic acid?
The canonical SMILES for 4-[2-(benzimidazol-1-ylmethyl)benzimidazol-1-yl]butanoic acid is O=C(O)CCCn1c(Cn2cnc3ccccc32)nc2ccccc21.
What is the InChIKey of 4-[2-(benzimidazol-1-ylmethyl)benzimidazol-1-yl]butanoic acid?
The InChIKey is GVVYTLGNHBRTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-19(25)10-5-11-23-17-9-4-2-7-15(17)21-18(23)12-22-13-20-14-6-1-3-8-16(14)22/h1-4,6-9,13H,5,10-12H2,(H,24,25).
What are the key properties of 4-[2-(benzimidazol-1-ylmethyl)benzimidazol-1-yl]butanoic acid?
4-[2-(benzimidazol-1-ylmethyl)benzimidazol-1-yl]butanoic acid has a molecular weight of 334.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzimidazol-1-ylmethyl)benzimidazol-1-yl]butanoic acid is sourced from PubChem (CID 142757356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).