2-(benzimidazol-1-yl)-N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]acetamide

C19H22N4O — CID 129449162

IUPAC2-(benzimidazol-1-yl)-N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]acetamide
SMILESCC1(C)[C@H]2CC=C(C=NNC(=O)Cn3cnc4ccccc43)[C@H]1C2
InChIInChI=1S/C19H22N4O/c1-19(2)14-8-7-13(15(19)9-14)10-21-22-18(24)11-23-12-20-16-5-3-4-6-17(16)23/h3-7,10,12,14-15H,8-9,11H2,1-2H3,(H,22,24)/t14-,15+/m0/s1
InChIKeyXJEUMGMDWPDCAG-LSDHHAIUSA-N
MW322.41 g/mol
LogP3.13
Rot. Bonds4

About 2-(benzimidazol-1-yl)-N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]acetamide

2-(benzimidazol-1-yl)-N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]acetamide (PubChem CID 129449162) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]acetamide
PubChem CID129449162
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-(benzimidazol-1-yl)-N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]acetamide
SMILESCC1(C)[C@H]2CC=C(C=NNC(=O)Cn3cnc4ccccc43)[C@H]1C2
InChIInChI=1S/C19H22N4O/c1-19(2)14-8-7-13(15(19)9-14)10-21-22-18(24)11-23-12-20-16-5-3-4-6-17(16)23/h3-7,10,12,14-15H,8-9,11H2,1-2H3,(H,22,24)/t14-,15+/m0/s1
InChIKeyXJEUMGMDWPDCAG-LSDHHAIUSA-N
XLogP3.13
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(Z)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 98307977
2-(benzimidazol-1-yl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 6900476
2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide
CID 728512
2-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114630853
2-(benzimidazol-1-yl)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 6861925
2-(benzimidazol-1-yl)-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide
CID 6264883
2-(benzimidazol-1-yl)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
CID 9121187
2-(benzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 5395175
N-[(Z)-(4-anilinophenyl)methylideneamino]-2-(benzimidazol-1-yl)acetamide
CID 9044974
2-(benzimidazol-1-yl)-N-(furan-2-ylmethylideneamino)acetamide
CID 697064
2-(benzimidazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 1184903
N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 71900864

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]acetamide (CID 129449162) is 2-(benzimidazol-1-yl)-N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]acetamide is CC1(C)[C@H]2CC=C(C=NNC(=O)Cn3cnc4ccccc43)[C@H]1C2.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]acetamide?
The InChIKey is XJEUMGMDWPDCAG-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H22N4O/c1-19(2)14-8-7-13(15(19)9-14)10-21-22-18(24)11-23-12-20-16-5-3-4-6-17(16)23/h3-7,10,12,14-15H,8-9,11H2,1-2H3,(H,22,24)/t14-,15+/m0/s1.
What are the key properties of 2-(benzimidazol-1-yl)-N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]acetamide?
2-(benzimidazol-1-yl)-N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]acetamide is sourced from PubChem (CID 129449162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).