2-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3H-benzimidazole-5-carboxamide

C19H18N4O — CID 5405538

IUPAC2-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3H-benzimidazole-5-carboxamide
SMILESCC(/C=N\NC(=O)c1ccc2nc(C)[nH]c2c1)=C\c1ccccc1
InChIInChI=1S/C19H18N4O/c1-13(10-15-6-4-3-5-7-15)12-20-23-19(24)16-8-9-17-18(11-16)22-14(2)21-17/h3-12H,1-2H3,(H,21,22)(H,23,24)/b13-10+,20-12-
InChIKeyVUYLXJHXSXPKHJ-GQHBOWIPSA-N
MW318.38 g/mol
LogP3.69
Rot. Bonds4

About 2-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3H-benzimidazole-5-carboxamide

2-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3H-benzimidazole-5-carboxamide (PubChem CID 5405538) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3H-benzimidazole-5-carboxamide
PubChem CID5405538
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name2-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3H-benzimidazole-5-carboxamide
SMILESCC(/C=N\NC(=O)c1ccc2nc(C)[nH]c2c1)=C\c1ccccc1
InChIInChI=1S/C19H18N4O/c1-13(10-15-6-4-3-5-7-15)12-20-23-19(24)16-8-9-17-18(11-16)22-14(2)21-17/h3-12H,1-2H3,(H,21,22)(H,23,24)/b13-10+,20-12-
InChIKeyVUYLXJHXSXPKHJ-GQHBOWIPSA-N
XLogP3.69
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 4175979
4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 51060496
3-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6155802
2-methyl-N-(pyridin-2-ylmethylideneamino)-3H-benzimidazole-5-carboxamide
CID 693866
4-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]-3-nitrobenzamide
CID 840697
4-tert-butyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3833151
3,4-dimethoxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6874229
3,4-dichloro-N-[2-[2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]-2-oxoethyl]benzamide
CID 3604204
N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-4-[(2E)-2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]benzamide;sulfuric acid
CID 84582855
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763
(E)-3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enoic acid
CID 59470779
4-methyl-N-[2-[(2E)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 45054169

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3H-benzimidazole-5-carboxamide (CID 5405538) is 2-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3H-benzimidazole-5-carboxamide is CC(/C=N\NC(=O)c1ccc2nc(C)[nH]c2c1)=C\c1ccccc1.
What is the InChIKey of 2-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3H-benzimidazole-5-carboxamide?
The InChIKey is VUYLXJHXSXPKHJ-GQHBOWIPSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13(10-15-6-4-3-5-7-15)12-20-23-19(24)16-8-9-17-18(11-16)22-14(2)21-17/h3-12H,1-2H3,(H,21,22)(H,23,24)/b13-10+,20-12-.
What are the key properties of 2-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3H-benzimidazole-5-carboxamide?
2-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3H-benzimidazole-5-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 5405538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).