N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylacetamide

C17H24ClN5O — CID 124752699

IUPACN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylacetamide
SMILESCN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)CN1CC[C@@H](N(C)C)C1
InChIInChI=1S/C17H24ClN5O/c1-21(2)13-6-7-23(9-13)11-17(24)22(3)10-16-19-14-5-4-12(18)8-15(14)20-16/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyKDTFZEFBENOSCQ-CYBMUJFWSA-N
MW349.87 g/mol
LogP1.81
Rot. Bonds5

About N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylacetamide

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylacetamide (PubChem CID 124752699) has the molecular formula C17H24ClN5O and a molecular weight of 349.87 g/mol. Its IUPAC name is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylacetamide
PubChem CID124752699
Molecular FormulaC17H24ClN5O
Molecular Weight349.87 g/mol
Exact Mass349.17
IUPAC NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylacetamide
SMILESCN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)CN1CC[C@@H](N(C)C)C1
InChIInChI=1S/C17H24ClN5O/c1-21(2)13-6-7-23(9-13)11-17(24)22(3)10-16-19-14-5-4-12(18)8-15(14)20-16/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyKDTFZEFBENOSCQ-CYBMUJFWSA-N
XLogP1.81
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 125174045
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate
CID 57361833
N-[(5-chloro-2-ethoxyphenyl)methyl]-2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylacetamide
CID 91829225
1-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[[(3R)-1-propylpiperidin-3-yl]methyl]urea
CID 126432629
(3R,6S)-6-amino-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(oxan-4-yl)azepane-3-carboxamide
CID 165427100
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 46964835
1-(azepan-1-yl)-2-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]ethanone
CID 134696462
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-4-piperidin-1-ylbutanamide
CID 72932463
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97197890
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide
CID 131946800
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-propylpyrazolidine-3-carboxamide
CID 75258578
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 91764570

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylacetamide (CID 124752699) is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylacetamide is CN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)CN1CC[C@@H](N(C)C)C1.
What is the InChIKey of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylacetamide?
The InChIKey is KDTFZEFBENOSCQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24ClN5O/c1-21(2)13-6-7-23(9-13)11-17(24)22(3)10-16-19-14-5-4-12(18)8-15(14)20-16/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,19,20)/t13-/m1/s1.
What are the key properties of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylacetamide?
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylacetamide has a molecular weight of 349.87 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 124752699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).