N-[(1-methylbenzimidazol-2-yl)methyl]-1-(thian-2-yl)methanamine

C15H21N3S — CID 80601341

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-1-(thian-2-yl)methanamine
SMILESCn1c(CNCC2CCCCS2)nc2ccccc21
InChIInChI=1S/C15H21N3S/c1-18-14-8-3-2-7-13(14)17-15(18)11-16-10-12-6-4-5-9-19-12/h2-3,7-8,12,16H,4-6,9-11H2,1H3
InChIKeyUWYZHSCFQOFYTO-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.95
Rot. Bonds4

About N-[(1-methylbenzimidazol-2-yl)methyl]-1-(thian-2-yl)methanamine

N-[(1-methylbenzimidazol-2-yl)methyl]-1-(thian-2-yl)methanamine (PubChem CID 80601341) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-1-(thian-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-1-(thian-2-yl)methanamine
PubChem CID80601341
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-1-(thian-2-yl)methanamine
SMILESCn1c(CNCC2CCCCS2)nc2ccccc21
InChIInChI=1S/C15H21N3S/c1-18-14-8-3-2-7-13(14)17-15(18)11-16-10-12-6-4-5-9-19-12/h2-3,7-8,12,16H,4-6,9-11H2,1H3
InChIKeyUWYZHSCFQOFYTO-UHFFFAOYSA-N
XLogP2.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylbenzimidazol-2-yl)methyl]-1-(thian-2-yl)methanamine 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

N-[(1-methylindol-3-yl)methyl]-1-(thian-2-yl)methanamine
CID 107235936
1-(1,1-dioxothiolan-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 81038373
1-(1-ethylpiperidin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 63378932
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(thian-2-yl)methanamine
CID 80600095
N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(thian-2-yl)ethanamine
CID 80626898
3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 115639506
N-[(1,3-dimethylindol-2-yl)methyl]-1-(thiolan-2-yl)methanamine
CID 107235935
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanamine
CID 80622599
trans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
CID 98562090
N-[(1-cyclopropylcyclopropyl)methyl]-1-(1-methylbenzimidazol-2-yl)methanamine
CID 103838563
N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95159798
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115614962

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-1-(thian-2-yl)methanamine?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-1-(thian-2-yl)methanamine (CID 80601341) is N-[(1-methylbenzimidazol-2-yl)methyl]-1-(thian-2-yl)methanamine.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-1-(thian-2-yl)methanamine?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-1-(thian-2-yl)methanamine is Cn1c(CNCC2CCCCS2)nc2ccccc21.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-1-(thian-2-yl)methanamine?
The InChIKey is UWYZHSCFQOFYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-18-14-8-3-2-7-13(14)17-15(18)11-16-10-12-6-4-5-9-19-12/h2-3,7-8,12,16H,4-6,9-11H2,1H3.
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-1-(thian-2-yl)methanamine?
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(thian-2-yl)methanamine has a molecular weight of 275.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-1-(thian-2-yl)methanamine is sourced from PubChem (CID 80601341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).