(1S,5R)-N,N-dimethyl-3-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C19H24N4O — CID 56917733

IUPAC(1S,5R)-N,N-dimethyl-3-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESC=CCn1c(CN2C[C@@H]3C(C(=O)N(C)C)[C@@H]3C2)nc2ccccc21
InChIInChI=1S/C19H24N4O/c1-4-9-23-16-8-6-5-7-15(16)20-17(23)12-22-10-13-14(11-22)18(13)19(24)21(2)3/h4-8,13-14,18H,1,9-12H2,2-3H3/t13-,14+,18?
InChIKeyKTNZZUNCDUBLPM-UUVAVEHKSA-N
MW324.43 g/mol
LogP1.99
Rot. Bonds5

About (1S,5R)-N,N-dimethyl-3-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1S,5R)-N,N-dimethyl-3-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 56917733) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (1S,5R)-N,N-dimethyl-3-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N,N-dimethyl-3-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID56917733
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(1S,5R)-N,N-dimethyl-3-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESC=CCn1c(CN2C[C@@H]3C(C(=O)N(C)C)[C@@H]3C2)nc2ccccc21
InChIInChI=1S/C19H24N4O/c1-4-9-23-16-8-6-5-7-15(16)20-17(23)12-22-10-13-14(11-22)18(13)19(24)21(2)3/h4-8,13-14,18H,1,9-12H2,2-3H3/t13-,14+,18?
InChIKeyKTNZZUNCDUBLPM-UUVAVEHKSA-N
XLogP1.99
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,5R)-N,N-dimethyl-3-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-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

(1S,5R)-3-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 122559237
2-methyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]propanamide
CID 17006187
(3R)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 124804980
(2S,4R)-4-hydroxy-1-[(1-prop-2-enylbenzimidazol-2-yl)methyl]piperidine-2-carboxylic acid
CID 133125273
4-[(1-ethylbenzimidazol-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 75438563
N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide
CID 18733297
1-methyl-9-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56752092
2-methyl-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]propanamide
CID 955336
1,9-dimethyl-4-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecane
CID 56743242
N-methyl-1-(1-prop-2-enylbenzimidazol-2-yl)methanamine;dihydrochloride
CID 122236315
2-fluoro-1-prop-2-enylbenzimidazole
CID 70361625
N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981612

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N,N-dimethyl-3-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-N,N-dimethyl-3-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 56917733) is (1S,5R)-N,N-dimethyl-3-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N,N-dimethyl-3-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-N,N-dimethyl-3-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is C=CCn1c(CN2C[C@@H]3C(C(=O)N(C)C)[C@@H]3C2)nc2ccccc21.
What is the InChIKey of (1S,5R)-N,N-dimethyl-3-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is KTNZZUNCDUBLPM-UUVAVEHKSA-N. The full InChI is InChI=1S/C19H24N4O/c1-4-9-23-16-8-6-5-7-15(16)20-17(23)12-22-10-13-14(11-22)18(13)19(24)21(2)3/h4-8,13-14,18H,1,9-12H2,2-3H3/t13-,14+,18?.
What are the key properties of (1S,5R)-N,N-dimethyl-3-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-N,N-dimethyl-3-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N,N-dimethyl-3-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 56917733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).