N-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.1]heptan-3-yl]-1-methylbenzimidazole-5-carboxamide

C17H22N4O — CID 139541555

IUPACN-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.1]heptan-3-yl]-1-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)N[C@@H]3C4CCN(C4)C3(C)C)ccc21
InChIInChI=1S/C17H22N4O/c1-17(2)15(12-6-7-21(17)9-12)19-16(22)11-4-5-14-13(8-11)18-10-20(14)3/h4-5,8,10,12,15H,6-7,9H2,1-3H3,(H,19,22)/t12?,15-/m1/s1
InChIKeyZOVSHUKQHOTXRN-WPZCJLIBSA-N
MW298.39 g/mol
LogP1.79
Rot. Bonds2

About N-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.1]heptan-3-yl]-1-methylbenzimidazole-5-carboxamide

N-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.1]heptan-3-yl]-1-methylbenzimidazole-5-carboxamide (PubChem CID 139541555) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.1]heptan-3-yl]-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.1]heptan-3-yl]-1-methylbenzimidazole-5-carboxamide
PubChem CID139541555
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.1]heptan-3-yl]-1-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)N[C@@H]3C4CCN(C4)C3(C)C)ccc21
InChIInChI=1S/C17H22N4O/c1-17(2)15(12-6-7-21(17)9-12)19-16(22)11-4-5-14-13(8-11)18-10-20(14)3/h4-5,8,10,12,15H,6-7,9H2,1-3H3,(H,19,22)/t12?,15-/m1/s1
InChIKeyZOVSHUKQHOTXRN-WPZCJLIBSA-N
XLogP1.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.1]heptan-3-yl]-1-methylbenzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
1-methyl-N-(4-piperazin-1-ylcyclohexyl)benzimidazole-5-carboxamide
CID 128877935
N-cyclopropyl-3-methylbenzimidazole-5-carboxamide
CID 110469101
1-methyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]benzimidazole-5-carboxamide
CID 99696199
1-methyl-N-(4-pyrrolidin-1-ylphenyl)benzimidazole-5-carboxamide
CID 110692640
N-(3,5-dichlorophenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775867
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
N-[(3aR,5S,6S,7aS)-2-ethylsulfonyl-6-methoxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]-1-methylbenzimidazole-5-carboxamide
CID 172674011
N-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-2,2-difluoro-1,3-benzodioxole-5-carboxamide
CID 121413631
(1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone
CID 82341526
1-methyl-N-[(2R)-pentan-2-yl]benzimidazole-5-carboxamide
CID 100775917

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.1]heptan-3-yl]-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.1]heptan-3-yl]-1-methylbenzimidazole-5-carboxamide (CID 139541555) is N-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.1]heptan-3-yl]-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.1]heptan-3-yl]-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.1]heptan-3-yl]-1-methylbenzimidazole-5-carboxamide is Cn1cnc2cc(C(=O)N[C@@H]3C4CCN(C4)C3(C)C)ccc21.
What is the InChIKey of N-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.1]heptan-3-yl]-1-methylbenzimidazole-5-carboxamide?
The InChIKey is ZOVSHUKQHOTXRN-WPZCJLIBSA-N. The full InChI is InChI=1S/C17H22N4O/c1-17(2)15(12-6-7-21(17)9-12)19-16(22)11-4-5-14-13(8-11)18-10-20(14)3/h4-5,8,10,12,15H,6-7,9H2,1-3H3,(H,19,22)/t12?,15-/m1/s1.
What are the key properties of N-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.1]heptan-3-yl]-1-methylbenzimidazole-5-carboxamide?
N-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.1]heptan-3-yl]-1-methylbenzimidazole-5-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.1]heptan-3-yl]-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 139541555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).