N,N-dimethyl-2-[(3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfanylmethyl]aniline

C20H22N4S — CID 10807800

IUPACN,N-dimethyl-2-[(3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfanylmethyl]aniline
SMILESCN(C)c1ccccc1CSc1nc2c(n1-c1ccccn1)CCC2
InChIInChI=1S/C20H22N4S/c1-23(2)17-10-4-3-8-15(17)14-25-20-22-16-9-7-11-18(16)24(20)19-12-5-6-13-21-19/h3-6,8,10,12-13H,7,9,11,14H2,1-2H3
InChIKeyDXEJKZUHTOZSHQ-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.11
Rot. Bonds5

About N,N-dimethyl-2-[(3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfanylmethyl]aniline

N,N-dimethyl-2-[(3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfanylmethyl]aniline (PubChem CID 10807800) has the molecular formula C20H22N4S and a molecular weight of 350.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfanylmethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfanylmethyl]aniline
PubChem CID10807800
Molecular FormulaC20H22N4S
Molecular Weight350.49 g/mol
Exact Mass350.16
IUPAC NameN,N-dimethyl-2-[(3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfanylmethyl]aniline
SMILESCN(C)c1ccccc1CSc1nc2c(n1-c1ccccn1)CCC2
InChIInChI=1S/C20H22N4S/c1-23(2)17-10-4-3-8-15(17)14-25-20-22-16-9-7-11-18(16)24(20)19-12-5-6-13-21-19/h3-6,8,10,12-13H,7,9,11,14H2,1-2H3
InChIKeyDXEJKZUHTOZSHQ-UHFFFAOYSA-N
XLogP4.11
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfanylmethyl]aniline?
The IUPAC name of N,N-dimethyl-2-[(3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfanylmethyl]aniline (CID 10807800) is N,N-dimethyl-2-[(3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfanylmethyl]aniline.
What is the SMILES notation for N,N-dimethyl-2-[(3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfanylmethyl]aniline?
The canonical SMILES for N,N-dimethyl-2-[(3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfanylmethyl]aniline is CN(C)c1ccccc1CSc1nc2c(n1-c1ccccn1)CCC2.
What is the InChIKey of N,N-dimethyl-2-[(3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfanylmethyl]aniline?
The InChIKey is DXEJKZUHTOZSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4S/c1-23(2)17-10-4-3-8-15(17)14-25-20-22-16-9-7-11-18(16)24(20)19-12-5-6-13-21-19/h3-6,8,10,12-13H,7,9,11,14H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[(3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfanylmethyl]aniline?
N,N-dimethyl-2-[(3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfanylmethyl]aniline has a molecular weight of 350.49 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfanylmethyl]aniline is sourced from PubChem (CID 10807800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).