(2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-(furan-2-yl)acetic acid

C13H10N4O3 — CID 10778432

IUPAC(2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-(furan-2-yl)acetic acid
SMILESO=C(O)/C(=N\Nc1nc2ccccc2[nH]1)c1ccco1
InChIInChI=1S/C13H10N4O3/c18-12(19)11(10-6-3-7-20-10)16-17-13-14-8-4-1-2-5-9(8)15-13/h1-7H,(H,18,19)(H2,14,15,17)/b16-11-
InChIKeyCDPNPSHIYYGLSA-WJDWOHSUSA-N
MW270.25 g/mol
LogP2.06
Rot. Bonds4

About (2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-(furan-2-yl)acetic acid

(2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-(furan-2-yl)acetic acid (PubChem CID 10778432) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is (2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-(furan-2-yl)acetic acid.

Molecular Properties

Compound Name(2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-(furan-2-yl)acetic acid
PubChem CID10778432
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name(2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-(furan-2-yl)acetic acid
SMILESO=C(O)/C(=N\Nc1nc2ccccc2[nH]1)c1ccco1
InChIInChI=1S/C13H10N4O3/c18-12(19)11(10-6-3-7-20-10)16-17-13-14-8-4-1-2-5-9(8)15-13/h1-7H,(H,18,19)(H2,14,15,17)/b16-11-
InChIKeyCDPNPSHIYYGLSA-WJDWOHSUSA-N
XLogP2.06
TPSA103.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-thiophen-3-ylacetic acid
CID 10850760
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 35808153
(2Z)-2-(furan-2-yl)-2-hydroxyiminoacetic acid
CID 14556124
N-[1-(4-methoxyphenyl)propan-2-ylideneamino]-1H-benzimidazol-2-amine;oxalic acid
CID 73242970
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine
CID 5396624
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide
CID 30157732
N-[1-(2,6-difluorophenyl)ethylideneamino]-1H-benzimidazol-2-amine
CID 3966393
(2R)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-3-oxopropanenitrile
CID 6928339
3-[2-(furan-2-yl)-2-oxoethyl]-1H-quinoxalin-2-one
CID 121209654
N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
CID 101271136
(3R)-N-(1H-benzimidazol-2-yl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 2487645
N-(1H-benzimidazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 51309089

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-(furan-2-yl)acetic acid?
The IUPAC name of (2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-(furan-2-yl)acetic acid (CID 10778432) is (2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-(furan-2-yl)acetic acid.
What is the SMILES notation for (2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-(furan-2-yl)acetic acid?
The canonical SMILES for (2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-(furan-2-yl)acetic acid is O=C(O)/C(=N\Nc1nc2ccccc2[nH]1)c1ccco1.
What is the InChIKey of (2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-(furan-2-yl)acetic acid?
The InChIKey is CDPNPSHIYYGLSA-WJDWOHSUSA-N. The full InChI is InChI=1S/C13H10N4O3/c18-12(19)11(10-6-3-7-20-10)16-17-13-14-8-4-1-2-5-9(8)15-13/h1-7H,(H,18,19)(H2,14,15,17)/b16-11-.
What are the key properties of (2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-(furan-2-yl)acetic acid?
(2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-(furan-2-yl)acetic acid has a molecular weight of 270.25 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-(furan-2-yl)acetic acid is sourced from PubChem (CID 10778432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).