2-methyl-N-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine

C13H13N3S — CID 43746402

IUPAC2-methyl-N-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NCc3cccs3)cc2[nH]1
InChIInChI=1S/C13H13N3S/c1-9-15-12-5-4-10(7-13(12)16-9)14-8-11-3-2-6-17-11/h2-7,14H,8H2,1H3,(H,15,16)
InChIKeyMQIKOHLSPXSTFZ-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.54
Rot. Bonds3

About 2-methyl-N-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine

2-methyl-N-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine (PubChem CID 43746402) has the molecular formula C13H13N3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-methyl-N-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine
PubChem CID43746402
Molecular FormulaC13H13N3S
Molecular Weight243.33 g/mol
Exact Mass243.08
IUPAC Name2-methyl-N-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NCc3cccs3)cc2[nH]1
InChIInChI=1S/C13H13N3S/c1-9-15-12-5-4-10(7-13(12)16-9)14-8-11-3-2-6-17-11/h2-7,14H,8H2,1H3,(H,15,16)
InChIKeyMQIKOHLSPXSTFZ-UHFFFAOYSA-N
XLogP3.54
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(1,3-thiazol-5-ylmethyl)-3H-benzimidazol-5-amine
CID 62759070
N-[(3-bromothiophen-2-yl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 113298016
N-[(2-ethylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 62392283
N-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine
CID 55163006
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol
CID 43746360
3-methyl-1-N-(2-methyl-3H-benzimidazol-5-yl)butane-1,3-diamine
CID 115200406
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 53274257
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzene-1,3-diol
CID 43746434
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
N-[(2-ethoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746372
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-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-methyl-N-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine (CID 43746402) is 2-methyl-N-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-methyl-N-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-methyl-N-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine is Cc1nc2ccc(NCc3cccs3)cc2[nH]1.
What is the InChIKey of 2-methyl-N-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine?
The InChIKey is MQIKOHLSPXSTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-9-15-12-5-4-10(7-13(12)16-9)14-8-11-3-2-6-17-11/h2-7,14H,8H2,1H3,(H,15,16).
What are the key properties of 2-methyl-N-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine?
2-methyl-N-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine has a molecular weight of 243.33 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 43746402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).