N-[(Z)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]-4-nitrobenzamide

C23H15N5O4 — CID 98117948

IUPACN-[(Z)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]-4-nitrobenzamide
SMILESO=C(N/N=c1\oc2ccccc2cc1-c1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H15N5O4/c29-22(14-9-11-16(12-10-14)28(30)31)26-27-23-17(13-15-5-1-4-8-20(15)32-23)21-24-18-6-2-3-7-19(18)25-21/h1-13H,(H,24,25)(H,26,29)/b27-23-
InChIKeyPTMFJWPHWVZGFY-VYIQYICTSA-N
MW425.40 g/mol
LogP4.13
Rot. Bonds4

About N-[(Z)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]-4-nitrobenzamide

N-[(Z)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]-4-nitrobenzamide (PubChem CID 98117948) has the molecular formula C23H15N5O4 and a molecular weight of 425.40 g/mol. Its IUPAC name is N-[(Z)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]-4-nitrobenzamide
PubChem CID98117948
Molecular FormulaC23H15N5O4
Molecular Weight425.40 g/mol
Exact Mass425.11
IUPAC NameN-[(Z)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]-4-nitrobenzamide
SMILESO=C(N/N=c1\oc2ccccc2cc1-c1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H15N5O4/c29-22(14-9-11-16(12-10-14)28(30)31)26-27-23-17(13-15-5-1-4-8-20(15)32-23)21-24-18-6-2-3-7-19(18)25-21/h1-13H,(H,24,25)(H,26,29)/b27-23-
InChIKeyPTMFJWPHWVZGFY-VYIQYICTSA-N
XLogP4.13
TPSA126.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]amino]benzamide
CID 3945255
N-[[3-(1H-benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]pyridine-4-carboxamide
CID 4587142
N-[[3-(1H-benzimidazol-2-yl)-6-methoxychromen-2-ylidene]amino]-4-bromobenzamide
CID 5033645
N-[[3-(1H-benzimidazol-2-yl)-7-hydroxychromen-2-ylidene]amino]-2-methoxybenzamide
CID 135466780
3-(1H-benzimidazol-2-yl)-6-nitrochromen-2-one
CID 747782
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide
CID 3584641
N'-(1H-benzimidazol-2-yl)-4-nitrobenzohydrazide
CID 66552728
2-[(3-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 3876523
4-[[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]benzonitrile
CID 4306404
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-nitrobenzamide
CID 17093079
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide
CID 4655949
2-(1H-benzimidazol-2-yl)-1-(4-nitrophenyl)ethanone
CID 3749366

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]-4-nitrobenzamide?
The IUPAC name of N-[(Z)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]-4-nitrobenzamide (CID 98117948) is N-[(Z)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]-4-nitrobenzamide.
What is the SMILES notation for N-[(Z)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]-4-nitrobenzamide?
The canonical SMILES for N-[(Z)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]-4-nitrobenzamide is O=C(N/N=c1\oc2ccccc2cc1-c1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(Z)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]-4-nitrobenzamide?
The InChIKey is PTMFJWPHWVZGFY-VYIQYICTSA-N. The full InChI is InChI=1S/C23H15N5O4/c29-22(14-9-11-16(12-10-14)28(30)31)26-27-23-17(13-15-5-1-4-8-20(15)32-23)21-24-18-6-2-3-7-19(18)25-21/h1-13H,(H,24,25)(H,26,29)/b27-23-.
What are the key properties of N-[(Z)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]-4-nitrobenzamide?
N-[(Z)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]-4-nitrobenzamide has a molecular weight of 425.40 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]-4-nitrobenzamide is sourced from PubChem (CID 98117948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).