2-methyl-N-(1,3-thiazol-5-ylmethyl)-3H-benzimidazol-5-amine

C12H12N4S — CID 62759070

IUPAC2-methyl-N-(1,3-thiazol-5-ylmethyl)-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NCc3cncs3)cc2[nH]1
InChIInChI=1S/C12H12N4S/c1-8-15-11-3-2-9(4-12(11)16-8)14-6-10-5-13-7-17-10/h2-5,7,14H,6H2,1H3,(H,15,16)
InChIKeyBRSBJHSJFGOFED-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.94
Rot. Bonds3

About 2-methyl-N-(1,3-thiazol-5-ylmethyl)-3H-benzimidazol-5-amine

2-methyl-N-(1,3-thiazol-5-ylmethyl)-3H-benzimidazol-5-amine (PubChem CID 62759070) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-methyl-N-(1,3-thiazol-5-ylmethyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-(1,3-thiazol-5-ylmethyl)-3H-benzimidazol-5-amine
PubChem CID62759070
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name2-methyl-N-(1,3-thiazol-5-ylmethyl)-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NCc3cncs3)cc2[nH]1
InChIInChI=1S/C12H12N4S/c1-8-15-11-3-2-9(4-12(11)16-8)14-6-10-5-13-7-17-10/h2-5,7,14H,6H2,1H3,(H,15,16)
InChIKeyBRSBJHSJFGOFED-UHFFFAOYSA-N
XLogP2.94
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine
CID 43746402
N-[(3-bromothiophen-2-yl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 113298016
5-(1,3-thiazol-5-ylmethylamino)-1,3-dihydrobenzimidazol-2-one
CID 55110337
N-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine
CID 55163006
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol
CID 43746360
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzene-1,3-diol
CID 43746434
N-[(2-ethylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 62392283
3-methyl-1-N-(2-methyl-3H-benzimidazol-5-yl)butane-1,3-diamine
CID 115200406
N-[(2-fluoro-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 103818702
N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 62121977
N-[(2,4-dichlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746405
5-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]furan-2-carbonitrile
CID 115743919

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,3-thiazol-5-ylmethyl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-methyl-N-(1,3-thiazol-5-ylmethyl)-3H-benzimidazol-5-amine (CID 62759070) is 2-methyl-N-(1,3-thiazol-5-ylmethyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-methyl-N-(1,3-thiazol-5-ylmethyl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-methyl-N-(1,3-thiazol-5-ylmethyl)-3H-benzimidazol-5-amine is Cc1nc2ccc(NCc3cncs3)cc2[nH]1.
What is the InChIKey of 2-methyl-N-(1,3-thiazol-5-ylmethyl)-3H-benzimidazol-5-amine?
The InChIKey is BRSBJHSJFGOFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-8-15-11-3-2-9(4-12(11)16-8)14-6-10-5-13-7-17-10/h2-5,7,14H,6H2,1H3,(H,15,16).
What are the key properties of 2-methyl-N-(1,3-thiazol-5-ylmethyl)-3H-benzimidazol-5-amine?
2-methyl-N-(1,3-thiazol-5-ylmethyl)-3H-benzimidazol-5-amine has a molecular weight of 244.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,3-thiazol-5-ylmethyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 62759070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).