N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzamide

C26H19N3O2 — CID 135429953

IUPACN-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzamide
SMILESO=C(N/C(=C\c1c(O)ccc2ccccc12)c1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C26H19N3O2/c30-24-15-14-17-8-4-5-11-19(17)20(24)16-23(29-26(31)18-9-2-1-3-10-18)25-27-21-12-6-7-13-22(21)28-25/h1-16,30H,(H,27,28)(H,29,31)/b23-16-
InChIKeyPQEATNHQSSUURU-KQWNVCNZSA-N
MW405.46 g/mol
LogP5.35
Rot. Bonds4

About N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzamide

N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzamide (PubChem CID 135429953) has the molecular formula C26H19N3O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzamide
PubChem CID135429953
Molecular FormulaC26H19N3O2
Molecular Weight405.46 g/mol
Exact Mass405.15
IUPAC NameN-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzamide
SMILESO=C(N/C(=C\c1c(O)ccc2ccccc12)c1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C26H19N3O2/c30-24-15-14-17-8-4-5-11-19(17)20(24)16-23(29-26(31)18-9-2-1-3-10-18)25-27-21-12-6-7-13-22(21)28-25/h1-16,30H,(H,27,28)(H,29,31)/b23-16-
InChIKeyPQEATNHQSSUURU-KQWNVCNZSA-N
XLogP5.35
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.46
LogP ≤ 55.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Benzamide, N-1H-benzimidazol-2-yl-2-hydroxy-
CID 583995
Ufp-502
CID 10345770
2-[(3E)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(3-carbamoylphenyl)-4-oxocyclohexa-1,5-dien-1-yl]butanedioic acid
CID 135532896
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-(2-hydroxyphenyl)phenyl]butanedioic acid
CID 135530536
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(3-acetylphenyl)-4-hydroxyphenyl]butanedioic acid
CID 135530568
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-(3-methylphenyl)phenyl]butanedioic acid
CID 135532848
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-(2-methylphenyl)phenyl]butanedioic acid
CID 135532849
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-(3-hydroxyphenyl)phenyl]butanedioic acid
CID 135532851
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-[3-(propan-2-yl)phenyl]phenyl]butanedioic acid
CID 135559112
2-(1,3-Dihydro-benzoimidazol-2-ylidene)-1,3-diphenyl-propane-1,3-dione
CID 135406049
H-Dmt-Aba-Gly-NH-CH2-Bid
CID 11721803
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-phenylphenyl]butanedioic acid
CID 135559104

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzamide?
The IUPAC name of N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzamide (CID 135429953) is N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzamide.
What is the SMILES notation for N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzamide?
The canonical SMILES for N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzamide is O=C(N/C(=C\c1c(O)ccc2ccccc12)c1nc2ccccc2[nH]1)c1ccccc1.
What is the InChIKey of N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzamide?
The InChIKey is PQEATNHQSSUURU-KQWNVCNZSA-N. The full InChI is InChI=1S/C26H19N3O2/c30-24-15-14-17-8-4-5-11-19(17)20(24)16-23(29-26(31)18-9-2-1-3-10-18)25-27-21-12-6-7-13-22(21)28-25/h1-16,30H,(H,27,28)(H,29,31)/b23-16-.
What are the key properties of N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzamide?
N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzamide has a molecular weight of 405.46 g/mol, XLogP of 5.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzamide is sourced from PubChem (CID 135429953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).