N-[(Z)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide

C20H24N4O — CID 98307977

IUPACN-[(Z)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)N/N=C\C1=CC[C@@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C20H24N4O/c1-13-22-17-6-4-5-7-18(17)24(13)12-19(25)23-21-11-14-8-9-15-10-16(14)20(15,2)3/h4-8,11,15-16H,9-10,12H2,1-3H3,(H,23,25)/b21-11-/t15-,16+/m1/s1
InChIKeyMJDNFXQZNIBKAB-VZXSQBNXSA-N
MW336.44 g/mol
LogP3.44
Rot. Bonds4

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

N-[(Z)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide (PubChem CID 98307977) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(Z)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
PubChem CID98307977
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[(Z)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)N/N=C\C1=CC[C@@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C20H24N4O/c1-13-22-17-6-4-5-7-18(17)24(13)12-19(25)23-21-11-14-8-9-15-10-16(14)20(15,2)3/h4-8,11,15-16H,9-10,12H2,1-3H3,(H,23,25)/b21-11-/t15-,16+/m1/s1
InChIKeyMJDNFXQZNIBKAB-VZXSQBNXSA-N
XLogP3.44
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.44
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

2-(benzimidazol-1-yl)-N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]acetamide
CID 129449162
N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 4173634
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121440
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 9121382
2-(2-methylbenzimidazol-1-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 7387968
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121431
N-[(Z)-(3-fluorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121419
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
N-[(Z)-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9147924
2-(2-methylbenzimidazol-1-yl)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
CID 781487
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 136801937
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide
CID 9121478

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[(Z)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide (CID 98307977) is N-[(Z)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(Z)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[(Z)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide is Cc1nc2ccccc2n1CC(=O)N/N=C\C1=CC[C@@H]2C[C@@H]1C2(C)C.
What is the InChIKey of N-[(Z)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
The InChIKey is MJDNFXQZNIBKAB-VZXSQBNXSA-N. The full InChI is InChI=1S/C20H24N4O/c1-13-22-17-6-4-5-7-18(17)24(13)12-19(25)23-21-11-14-8-9-15-10-16(14)20(15,2)3/h4-8,11,15-16H,9-10,12H2,1-3H3,(H,23,25)/b21-11-/t15-,16+/m1/s1.
What are the key properties of N-[(Z)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
N-[(Z)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide has a molecular weight of 336.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 98307977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).