CID 19881367

C21H18NOSe — CID 19881367

IUPAC—
SMILESCOc1ccc(/N=C(\[Se])c2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C21H18NOSe/c1-23-19-13-11-18(12-14-19)22-21(24)20-10-6-5-9-17(20)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3/b22-21-
InChIKeyBMFKDXHPAKCPAV-DQRAZIAOSA-N
MW379.34 g/mol
LogP4.53
Rot. Bonds5

About CID 19881367

CID 19881367 (PubChem CID 19881367) has the molecular formula C21H18NOSe and a molecular weight of 379.34 g/mol.

Molecular Properties

Compound NameCID 19881367
PubChem CID19881367
Molecular FormulaC21H18NOSe
Molecular Weight379.34 g/mol
Exact Mass380.06
IUPAC Name—
SMILESCOc1ccc(/N=C(\[Se])c2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C21H18NOSe/c1-23-19-13-11-18(12-14-19)22-21(24)20-10-6-5-9-17(20)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3/b22-21-
InChIKeyBMFKDXHPAKCPAV-DQRAZIAOSA-N
XLogP4.53
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

CID 19881371
CID 19881371
[2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone
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[2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
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CID 22845526
2-[2-[(4-methoxyphenyl)methyl]phenyl]acetic acid
CID 12743493
1-benzyl-4-methoxybenzene;molecular nitrogen
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CID 12548943
CID 12548943
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate
CID 2587645
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-benzylbenzoate
CID 23988356
[2-[(4-methoxyphenyl)methyl]phenyl]methylphosphane
CID 69335204
1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
CID 57312860

Frequently Asked Questions

What is the IUPAC name of CID 19881367?
The IUPAC name of CID 19881367 (CID 19881367) is not available.
What is the SMILES notation for CID 19881367?
The canonical SMILES for CID 19881367 is COc1ccc(/N=C(\[Se])c2ccccc2Cc2ccccc2)cc1.
What is the InChIKey of CID 19881367?
The InChIKey is BMFKDXHPAKCPAV-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H18NOSe/c1-23-19-13-11-18(12-14-19)22-21(24)20-10-6-5-9-17(20)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3/b22-21-.
What are the key properties of CID 19881367?
CID 19881367 has a molecular weight of 379.34 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19881367 is sourced from PubChem (CID 19881367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).