2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide

C18H27N5O — CID 91764570

IUPAC2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
SMILESCN(Cc1nc2ccccc2n1C)C(=O)CN1CCC(N(C)C)C1
InChIInChI=1S/C18H27N5O/c1-20(2)14-9-10-23(11-14)13-18(24)21(3)12-17-19-15-7-5-6-8-16(15)22(17)4/h5-8,14H,9-13H2,1-4H3
InChIKeyFDDNDQBMYNDCDI-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.17
Rot. Bonds5

About 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide

2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide (PubChem CID 91764570) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
PubChem CID91764570
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
SMILESCN(Cc1nc2ccccc2n1C)C(=O)CN1CCC(N(C)C)C1
InChIInChI=1S/C18H27N5O/c1-20(2)14-9-10-23(11-14)13-18(24)21(3)12-17-19-15-7-5-6-8-16(15)22(17)4/h5-8,14H,9-13H2,1-4H3
InChIKeyFDDNDQBMYNDCDI-UHFFFAOYSA-N
XLogP1.17
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxopiperazin-1-yl)acetamide;dihydrochloride
CID 122148337
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-propan-2-yloxypropanamide
CID 56787204
1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 72926073
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 167983187
1-cyclopropyl-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 56787202
(2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide
CID 129401690
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 169421187
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone
CID 63165103
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]acetamide
CID 91833363
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylacetamide
CID 124752699
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide (CID 91764570) is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide is CN(Cc1nc2ccccc2n1C)C(=O)CN1CCC(N(C)C)C1.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
The InChIKey is FDDNDQBMYNDCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-20(2)14-9-10-23(11-14)13-18(24)21(3)12-17-19-15-7-5-6-8-16(15)22(17)4/h5-8,14H,9-13H2,1-4H3.
What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide has a molecular weight of 329.45 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 91764570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).