N,N-dimethyl-2-[(1-pyridin-2-yl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfinylmethyl]aniline

C21H24N4OS — CID 10714809

IUPACN,N-dimethyl-2-[(1-pyridin-2-yl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfinylmethyl]aniline
SMILESCN(C)c1ccccc1CS(=O)c1nc2c(n1-c1ccccn1)CCCC2
InChIInChI=1S/C21H24N4OS/c1-24(2)18-11-5-3-9-16(18)15-27(26)21-23-17-10-4-6-12-19(17)25(21)20-13-7-8-14-22-20/h3,5,7-9,11,13-14H,4,6,10,12,15H2,1-2H3
InChIKeyQNKBKPSAPPUDQK-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.52
Rot. Bonds5

About N,N-dimethyl-2-[(1-pyridin-2-yl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfinylmethyl]aniline

N,N-dimethyl-2-[(1-pyridin-2-yl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfinylmethyl]aniline (PubChem CID 10714809) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1-pyridin-2-yl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfinylmethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1-pyridin-2-yl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfinylmethyl]aniline
PubChem CID10714809
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC NameN,N-dimethyl-2-[(1-pyridin-2-yl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfinylmethyl]aniline
SMILESCN(C)c1ccccc1CS(=O)c1nc2c(n1-c1ccccn1)CCCC2
InChIInChI=1S/C21H24N4OS/c1-24(2)18-11-5-3-9-16(18)15-27(26)21-23-17-10-4-6-12-19(17)25(21)20-13-7-8-14-22-20/h3,5,7-9,11,13-14H,4,6,10,12,15H2,1-2H3
InChIKeyQNKBKPSAPPUDQK-UHFFFAOYSA-N
XLogP3.52
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.52
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-[(1-pyridin-2-yl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfinylmethyl]aniline?
The IUPAC name of N,N-dimethyl-2-[(1-pyridin-2-yl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfinylmethyl]aniline (CID 10714809) is N,N-dimethyl-2-[(1-pyridin-2-yl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfinylmethyl]aniline.
What is the SMILES notation for N,N-dimethyl-2-[(1-pyridin-2-yl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfinylmethyl]aniline?
The canonical SMILES for N,N-dimethyl-2-[(1-pyridin-2-yl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfinylmethyl]aniline is CN(C)c1ccccc1CS(=O)c1nc2c(n1-c1ccccn1)CCCC2.
What is the InChIKey of N,N-dimethyl-2-[(1-pyridin-2-yl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfinylmethyl]aniline?
The InChIKey is QNKBKPSAPPUDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-24(2)18-11-5-3-9-16(18)15-27(26)21-23-17-10-4-6-12-19(17)25(21)20-13-7-8-14-22-20/h3,5,7-9,11,13-14H,4,6,10,12,15H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[(1-pyridin-2-yl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfinylmethyl]aniline?
N,N-dimethyl-2-[(1-pyridin-2-yl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfinylmethyl]aniline has a molecular weight of 380.52 g/mol, XLogP of 3.52, 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-[(1-pyridin-2-yl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfinylmethyl]aniline is sourced from PubChem (CID 10714809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).