3-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1H-benzimidazol-2-one

C18H21N5O — CID 146172542

IUPAC3-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1H-benzimidazol-2-one
SMILESCN(C)[C@H]1CCN(c2ccc(-n3c(=O)[nH]c4ccccc43)cn2)C1
InChIInChI=1S/C18H21N5O/c1-21(2)14-9-10-22(12-14)17-8-7-13(11-19-17)23-16-6-4-3-5-15(16)20-18(23)24/h3-8,11,14H,9-10,12H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyUPNIHEKHJKDPKP-AWEZNQCLSA-N
MW323.40 g/mol
LogP1.85
Rot. Bonds3

About 3-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1H-benzimidazol-2-one

3-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1H-benzimidazol-2-one (PubChem CID 146172542) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1H-benzimidazol-2-one
PubChem CID146172542
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name3-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1H-benzimidazol-2-one
SMILESCN(C)[C@H]1CCN(c2ccc(-n3c(=O)[nH]c4ccccc43)cn2)C1
InChIInChI=1S/C18H21N5O/c1-21(2)14-9-10-22(12-14)17-8-7-13(11-19-17)23-16-6-4-3-5-15(16)20-18(23)24/h3-8,11,14H,9-10,12H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyUPNIHEKHJKDPKP-AWEZNQCLSA-N
XLogP1.85
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1H-benzimidazol-2-one 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

1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane
CID 143127002
1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166581
6-(4-chlorophenyl)-2-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]phthalazin-1-one
CID 11640865
1-(6-tert-butyl-3-pyridinyl)-N,N-dimethylpyrrolidin-3-amine
CID 134595807
6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide
CID 76986817
N,N-dimethyl-1-(2-methylthieno[2,3-b]pyridin-6-yl)pyrrolidin-3-amine;formamide
CID 170747736
6-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71285211
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136957825
1-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 83127619
2-(4-cyclopropyloxyphenyl)-6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one
CID 66673316
N-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-(4-fluorophenyl)benzamide
CID 58866660
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43586285

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1H-benzimidazol-2-one (CID 146172542) is 3-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1H-benzimidazol-2-one is CN(C)[C@H]1CCN(c2ccc(-n3c(=O)[nH]c4ccccc43)cn2)C1.
What is the InChIKey of 3-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1H-benzimidazol-2-one?
The InChIKey is UPNIHEKHJKDPKP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N5O/c1-21(2)14-9-10-22(12-14)17-8-7-13(11-19-17)23-16-6-4-3-5-15(16)20-18(23)24/h3-8,11,14H,9-10,12H2,1-2H3,(H,20,24)/t14-/m0/s1.
What are the key properties of 3-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1H-benzimidazol-2-one?
3-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1H-benzimidazol-2-one has a molecular weight of 323.40 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 146172542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).