1-methyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-6-oxopyridazine-3-carboxamide

C22H21N5O2 — CID 42933561

IUPAC1-methyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC(Cc2nc3ccccc3n2C)c2ccccc2)ccc1=O
InChIInChI=1S/C22H21N5O2/c1-26-19-11-7-6-10-16(19)23-20(26)14-18(15-8-4-3-5-9-15)24-22(29)17-12-13-21(28)27(2)25-17/h3-13,18H,14H2,1-2H3,(H,24,29)
InChIKeyIOJWTKVTMFBSDS-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.38
Rot. Bonds5

About 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-6-oxopyridazine-3-carboxamide

1-methyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-6-oxopyridazine-3-carboxamide (PubChem CID 42933561) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-6-oxopyridazine-3-carboxamide
PubChem CID42933561
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name1-methyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC(Cc2nc3ccccc3n2C)c2ccccc2)ccc1=O
InChIInChI=1S/C22H21N5O2/c1-26-19-11-7-6-10-16(19)23-20(26)14-18(15-8-4-3-5-9-15)24-22(29)17-12-13-21(28)27(2)25-17/h3-13,18H,14H2,1-2H3,(H,24,29)
InChIKeyIOJWTKVTMFBSDS-UHFFFAOYSA-N
XLogP2.38
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide
CID 42933546
N-[(1R)-2-hydroxy-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103772693
3,4-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide
CID 42933551
4-methyl-N-[(1R)-2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-3-nitrobenzamide
CID 25388420
4-chloro-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-2-nitrobenzamide
CID 42933537
2-chloro-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-4-nitrobenzamide
CID 42933542
N-[2-(2-fluorophenoxy)-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55799758
N-[(1S)-2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-4-methylsulfonyl-3-nitrobenzamide
CID 41171401
1-methyl-N-[1-(4-methylphenyl)propyl]-6-oxopyridazine-3-carboxamide
CID 78777843
2-benzyl-3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 139013521
3-(4-tert-butylphenyl)-3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid
CID 119209886
1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide
CID 4879642

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-6-oxopyridazine-3-carboxamide (CID 42933561) is 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NC(Cc2nc3ccccc3n2C)c2ccccc2)ccc1=O.
What is the InChIKey of 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is IOJWTKVTMFBSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-26-19-11-7-6-10-16(19)23-20(26)14-18(15-8-4-3-5-9-15)24-22(29)17-12-13-21(28)27(2)25-17/h3-13,18H,14H2,1-2H3,(H,24,29).
What are the key properties of 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-6-oxopyridazine-3-carboxamide?
1-methyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 42933561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).