N-[[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]amino]benzamide

C27H18N4O2 — CID 3945255

IUPACN-[[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]amino]benzamide
SMILESO=C(NN=c1oc2ccc3ccccc3c2cc1-c1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C27H18N4O2/c32-26(18-9-2-1-3-10-18)30-31-27-21(25-28-22-12-6-7-13-23(22)29-25)16-20-19-11-5-4-8-17(19)14-15-24(20)33-27/h1-16H,(H,28,29)(H,30,32)
InChIKeyGVGFWMFNCHIOGW-UHFFFAOYSA-N
MW430.47 g/mol
LogP5.38
Rot. Bonds3

About N-[[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]amino]benzamide

N-[[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]amino]benzamide (PubChem CID 3945255) has the molecular formula C27H18N4O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is N-[[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]amino]benzamide.

Molecular Properties

Compound NameN-[[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]amino]benzamide
PubChem CID3945255
Molecular FormulaC27H18N4O2
Molecular Weight430.47 g/mol
Exact Mass430.14
IUPAC NameN-[[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]amino]benzamide
SMILESO=C(NN=c1oc2ccc3ccccc3c2cc1-c1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C27H18N4O2/c32-26(18-9-2-1-3-10-18)30-31-27-21(25-28-22-12-6-7-13-23(22)29-25)16-20-19-11-5-4-8-17(19)14-15-24(20)33-27/h1-16H,(H,28,29)(H,30,32)
InChIKeyGVGFWMFNCHIOGW-UHFFFAOYSA-N
XLogP5.38
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]-4-nitrobenzamide
CID 98117948
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CID 4587142
N-[[3-(1H-benzimidazol-2-yl)-6-methoxychromen-2-ylidene]amino]-4-bromobenzamide
CID 5033645
[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]azanium perchlorate
CID 2834928
N-[[3-(1H-benzimidazol-2-yl)-7-hydroxychromen-2-ylidene]amino]-2-methoxybenzamide
CID 135466780
2-phenanthren-9-yl-1H-benzimidazole
CID 102492769
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
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2-(1-bromonaphthalen-2-yl)-1H-benzimidazole
CID 101479527
4-amino-N-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]benzamide
CID 9070813
2-(1H-benzimidazol-2-yl)benzoate;copper(1+)
CID 174857588
2-(1H-benzimidazol-2-yl)terephthalic acid
CID 6395633
2-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]quinazoline-4-carboxamide
CID 59483498

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]amino]benzamide?
The IUPAC name of N-[[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]amino]benzamide (CID 3945255) is N-[[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]amino]benzamide.
What is the SMILES notation for N-[[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]amino]benzamide?
The canonical SMILES for N-[[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]amino]benzamide is O=C(NN=c1oc2ccc3ccccc3c2cc1-c1nc2ccccc2[nH]1)c1ccccc1.
What is the InChIKey of N-[[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]amino]benzamide?
The InChIKey is GVGFWMFNCHIOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N4O2/c32-26(18-9-2-1-3-10-18)30-31-27-21(25-28-22-12-6-7-13-23(22)29-25)16-20-19-11-5-4-8-17(19)14-15-24(20)33-27/h1-16H,(H,28,29)(H,30,32).
What are the key properties of N-[[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]amino]benzamide?
N-[[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]amino]benzamide has a molecular weight of 430.47 g/mol, XLogP of 5.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]amino]benzamide is sourced from PubChem (CID 3945255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).