2-[4-(benzimidazol-2-ylidene)-1-pyridinyl]acetic acid

C14H11N3O2 — CID 126419139

IUPAC2-[4-(benzimidazol-2-ylidene)-1-pyridinyl]acetic acid
SMILESO=C(O)CN1C=CC(=C2N=c3ccccc3=N2)C=C1
InChIInChI=1S/C14H11N3O2/c18-13(19)9-17-7-5-10(6-8-17)14-15-11-3-1-2-4-12(11)16-14/h1-8H,9H2,(H,18,19)
InChIKeyDSJJCBSXHUCRMU-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.58
Rot. Bonds2

About 2-[4-(benzimidazol-2-ylidene)-1-pyridinyl]acetic acid

2-[4-(benzimidazol-2-ylidene)-1-pyridinyl]acetic acid (PubChem CID 126419139) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[4-(benzimidazol-2-ylidene)-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(benzimidazol-2-ylidene)-1-pyridinyl]acetic acid
PubChem CID126419139
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-[4-(benzimidazol-2-ylidene)-1-pyridinyl]acetic acid
SMILESO=C(O)CN1C=CC(=C2N=c3ccccc3=N2)C=C1
InChIInChI=1S/C14H11N3O2/c18-13(19)9-17-7-5-10(6-8-17)14-15-11-3-1-2-4-12(11)16-14/h1-8H,9H2,(H,18,19)
InChIKeyDSJJCBSXHUCRMU-UHFFFAOYSA-N
XLogP0.58
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(tetrazol-5-ylidene)-1-pyridinyl]acetic acid
CID 102508547
2-(1-methyl-4-pyridinylidene)benzimidazole
CID 12614921
2-[(2Z,5Z,8Z,11Z)-4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododeca-2,5,8,11-tetraen-1-yl]acetic acid
CID 141341834
2-(2-phenylimidazol-1-yl)acetic acid
CID 3145945
2-(3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl)acetic acid
CID 70231632
carbanide;2-(3H-indol-3-id-1-yl)acetic acid;ytterbium(2+)
CID 59559427
2-(2-methanethioylpyrrol-1-yl)acetic acid
CID 22168770
2-(2-sulfopyrrol-1-yl)acetic acid
CID 88794744
2-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 82582322
2-[4,7-bis(carboxymethyl)-10-[[3-[[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]methyl]quinoxalin-2-yl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 71491951
2-ethylsulfanyl-1-phenylethanone
CID 2776060
3-[4-(1-methyl-4-pyridinylidene)-1-pyridinyl]-N-[4-(10,15,20-triphenylporphyrin-5-yl)phenyl]propanamide
CID 101025449

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzimidazol-2-ylidene)-1-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(benzimidazol-2-ylidene)-1-pyridinyl]acetic acid (CID 126419139) is 2-[4-(benzimidazol-2-ylidene)-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(benzimidazol-2-ylidene)-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(benzimidazol-2-ylidene)-1-pyridinyl]acetic acid is O=C(O)CN1C=CC(=C2N=c3ccccc3=N2)C=C1.
What is the InChIKey of 2-[4-(benzimidazol-2-ylidene)-1-pyridinyl]acetic acid?
The InChIKey is DSJJCBSXHUCRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-13(19)9-17-7-5-10(6-8-17)14-15-11-3-1-2-4-12(11)16-14/h1-8H,9H2,(H,18,19).
What are the key properties of 2-[4-(benzimidazol-2-ylidene)-1-pyridinyl]acetic acid?
2-[4-(benzimidazol-2-ylidene)-1-pyridinyl]acetic acid has a molecular weight of 253.26 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzimidazol-2-ylidene)-1-pyridinyl]acetic acid is sourced from PubChem (CID 126419139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).