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

C21H23N3OS — CID 10499090

IUPACN,N-dimethyl-2-[(3-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfinylmethyl]aniline
SMILESCN(C)c1ccccc1CS(=O)c1nc2c(n1-c1ccccc1)CCC2
InChIInChI=1S/C21H23N3OS/c1-23(2)19-13-7-6-9-16(19)15-26(25)21-22-18-12-8-14-20(18)24(21)17-10-4-3-5-11-17/h3-7,9-11,13H,8,12,14-15H2,1-2H3
InChIKeyBCROKYQFZXPJQN-UHFFFAOYSA-N
MW365.50 g/mol
LogP3.73
Rot. Bonds5

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

N,N-dimethyl-2-[(3-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfinylmethyl]aniline (PubChem CID 10499090) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfinylmethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfinylmethyl]aniline
PubChem CID10499090
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN,N-dimethyl-2-[(3-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfinylmethyl]aniline
SMILESCN(C)c1ccccc1CS(=O)c1nc2c(n1-c1ccccc1)CCC2
InChIInChI=1S/C21H23N3OS/c1-23(2)19-13-7-6-9-16(19)15-26(25)21-22-18-12-8-14-20(18)24(21)17-10-4-3-5-11-17/h3-7,9-11,13H,8,12,14-15H2,1-2H3
InChIKeyBCROKYQFZXPJQN-UHFFFAOYSA-N
XLogP3.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfinylmethyl]aniline?
The IUPAC name of N,N-dimethyl-2-[(3-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfinylmethyl]aniline (CID 10499090) is N,N-dimethyl-2-[(3-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfinylmethyl]aniline.
What is the SMILES notation for N,N-dimethyl-2-[(3-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfinylmethyl]aniline?
The canonical SMILES for N,N-dimethyl-2-[(3-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfinylmethyl]aniline is CN(C)c1ccccc1CS(=O)c1nc2c(n1-c1ccccc1)CCC2.
What is the InChIKey of N,N-dimethyl-2-[(3-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfinylmethyl]aniline?
The InChIKey is BCROKYQFZXPJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-23(2)19-13-7-6-9-16(19)15-26(25)21-22-18-12-8-14-20(18)24(21)17-10-4-3-5-11-17/h3-7,9-11,13H,8,12,14-15H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[(3-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfinylmethyl]aniline?
N,N-dimethyl-2-[(3-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfinylmethyl]aniline has a molecular weight of 365.50 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfinylmethyl]aniline is sourced from PubChem (CID 10499090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).