1H-benzimidazol-2-yl-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone

C16H20N4O — CID 56909563

IUPAC1H-benzimidazol-2-yl-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
SMILESCN(C)CC1[C@H]2CN(C(=O)c3nc4ccccc4[nH]3)C[C@@H]12
InChIInChI=1S/C16H20N4O/c1-19(2)7-10-11-8-20(9-12(10)11)16(21)15-17-13-5-3-4-6-14(13)18-15/h3-6,10-12H,7-9H2,1-2H3,(H,17,18)/t10?,11-,12+
InChIKeyJOWMEXNBECRRCX-YOGCLGLASA-N
MW284.36 g/mol
LogP1.44
Rot. Bonds3

About 1H-benzimidazol-2-yl-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone

1H-benzimidazol-2-yl-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone (PubChem CID 56909563) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
PubChem CID56909563
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1H-benzimidazol-2-yl-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
SMILESCN(C)CC1[C@H]2CN(C(=O)c3nc4ccccc4[nH]3)C[C@@H]12
InChIInChI=1S/C16H20N4O/c1-19(2)7-10-11-8-20(9-12(10)11)16(21)15-17-13-5-3-4-6-14(13)18-15/h3-6,10-12H,7-9H2,1-2H3,(H,17,18)/t10?,11-,12+
InChIKeyJOWMEXNBECRRCX-YOGCLGLASA-N
XLogP1.44
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone (CID 56909563) is 1H-benzimidazol-2-yl-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone is CN(C)CC1[C@H]2CN(C(=O)c3nc4ccccc4[nH]3)C[C@@H]12.
What is the InChIKey of 1H-benzimidazol-2-yl-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The InChIKey is JOWMEXNBECRRCX-YOGCLGLASA-N. The full InChI is InChI=1S/C16H20N4O/c1-19(2)7-10-11-8-20(9-12(10)11)16(21)15-17-13-5-3-4-6-14(13)18-15/h3-6,10-12H,7-9H2,1-2H3,(H,17,18)/t10?,11-,12+.
What are the key properties of 1H-benzimidazol-2-yl-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
1H-benzimidazol-2-yl-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone has a molecular weight of 284.36 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone is sourced from PubChem (CID 56909563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).