N-[[3-(1H-benzimidazol-2-yl)-7-hydroxychromen-2-ylidene]amino]-2-methoxybenzamide

C24H18N4O4 — CID 135466780

IUPACN-[[3-(1H-benzimidazol-2-yl)-7-hydroxychromen-2-ylidene]amino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NN=c1oc2cc(O)ccc2cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H18N4O4/c1-31-20-9-5-2-6-16(20)23(30)27-28-24-17(12-14-10-11-15(29)13-21(14)32-24)22-25-18-7-3-4-8-19(18)26-22/h2-13,29H,1H3,(H,25,26)(H,27,30)
InChIKeyHYWBLNISRVJZAK-UHFFFAOYSA-N
MW426.43 g/mol
LogP3.94
Rot. Bonds4

About N-[[3-(1H-benzimidazol-2-yl)-7-hydroxychromen-2-ylidene]amino]-2-methoxybenzamide

N-[[3-(1H-benzimidazol-2-yl)-7-hydroxychromen-2-ylidene]amino]-2-methoxybenzamide (PubChem CID 135466780) has the molecular formula C24H18N4O4 and a molecular weight of 426.43 g/mol. Its IUPAC name is N-[[3-(1H-benzimidazol-2-yl)-7-hydroxychromen-2-ylidene]amino]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[3-(1H-benzimidazol-2-yl)-7-hydroxychromen-2-ylidene]amino]-2-methoxybenzamide
PubChem CID135466780
Molecular FormulaC24H18N4O4
Molecular Weight426.43 g/mol
Exact Mass426.13
IUPAC NameN-[[3-(1H-benzimidazol-2-yl)-7-hydroxychromen-2-ylidene]amino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NN=c1oc2cc(O)ccc2cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H18N4O4/c1-31-20-9-5-2-6-16(20)23(30)27-28-24-17(12-14-10-11-15(29)13-21(14)32-24)22-25-18-7-3-4-8-19(18)26-22/h2-13,29H,1H3,(H,25,26)(H,27,30)
InChIKeyHYWBLNISRVJZAK-UHFFFAOYSA-N
XLogP3.94
TPSA112.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 5033645
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CID 3945255
N-[(Z)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]-4-nitrobenzamide
CID 98117948
N-[[3-(1H-benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]pyridine-4-carboxamide
CID 4587142
3-(1H-benzimidazol-2-yl)-2-(3-bromophenyl)iminochromen-7-ol
CID 135518454
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride
CID 146052811
3-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide
CID 90027418
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7-hydroxy-N-(2-methoxyphenyl)-2-(phenylhydrazinylidene)chromene-3-carboxamide
CID 135468785
N-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 3525797
3-(1H-benzimidazol-2-yl)-6-methoxy-N-(4-methylphenyl)chromen-2-imine
CID 5128973
3-(1H-benzimidazol-2-yl)-4-methoxybenzoic acid
CID 168554913

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1H-benzimidazol-2-yl)-7-hydroxychromen-2-ylidene]amino]-2-methoxybenzamide?
The IUPAC name of N-[[3-(1H-benzimidazol-2-yl)-7-hydroxychromen-2-ylidene]amino]-2-methoxybenzamide (CID 135466780) is N-[[3-(1H-benzimidazol-2-yl)-7-hydroxychromen-2-ylidene]amino]-2-methoxybenzamide.
What is the SMILES notation for N-[[3-(1H-benzimidazol-2-yl)-7-hydroxychromen-2-ylidene]amino]-2-methoxybenzamide?
The canonical SMILES for N-[[3-(1H-benzimidazol-2-yl)-7-hydroxychromen-2-ylidene]amino]-2-methoxybenzamide is COc1ccccc1C(=O)NN=c1oc2cc(O)ccc2cc1-c1nc2ccccc2[nH]1.
What is the InChIKey of N-[[3-(1H-benzimidazol-2-yl)-7-hydroxychromen-2-ylidene]amino]-2-methoxybenzamide?
The InChIKey is HYWBLNISRVJZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O4/c1-31-20-9-5-2-6-16(20)23(30)27-28-24-17(12-14-10-11-15(29)13-21(14)32-24)22-25-18-7-3-4-8-19(18)26-22/h2-13,29H,1H3,(H,25,26)(H,27,30).
What are the key properties of N-[[3-(1H-benzimidazol-2-yl)-7-hydroxychromen-2-ylidene]amino]-2-methoxybenzamide?
N-[[3-(1H-benzimidazol-2-yl)-7-hydroxychromen-2-ylidene]amino]-2-methoxybenzamide has a molecular weight of 426.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1H-benzimidazol-2-yl)-7-hydroxychromen-2-ylidene]amino]-2-methoxybenzamide is sourced from PubChem (CID 135466780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).