N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine

C14H15N3S — CID 53274257

IUPACN-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCc1ccc2nc(CNCc3cccs3)[nH]c2c1
InChIInChI=1S/C14H15N3S/c1-10-4-5-12-13(7-10)17-14(16-12)9-15-8-11-3-2-6-18-11/h2-7,15H,8-9H2,1H3,(H,16,17)
InChIKeyQWRWOTNWXXAVCB-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.22
Rot. Bonds4

About N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine

N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 53274257) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID53274257
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC NameN-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCc1ccc2nc(CNCc3cccs3)[nH]c2c1
InChIInChI=1S/C14H15N3S/c1-10-4-5-12-13(7-10)17-14(16-12)9-15-8-11-3-2-6-18-11/h2-7,15H,8-9H2,1H3,(H,16,17)
InChIKeyQWRWOTNWXXAVCB-UHFFFAOYSA-N
XLogP3.22
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole
CID 60978374
2,2,2-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]ethanamine
CID 79257984
7-methyl-3-[(thiophen-2-ylmethylamino)methyl]-1H-quinolin-2-one
CID 860989
2-(1H-benzimidazol-2-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 66526955
N-[(6-propylsulfanyl-1H-benzimidazol-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 134084540
2-[(thiophen-2-ylmethylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135460673
2-methyl-N-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine
CID 43746402
N',N'-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propane-1,3-diamine
CID 53274322
N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 162663446
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
N-(1H-benzimidazol-2-ylmethyl)-1-[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methanamine
CID 9113063
1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 105378240

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine (CID 53274257) is N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine is Cc1ccc2nc(CNCc3cccs3)[nH]c2c1.
What is the InChIKey of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is QWRWOTNWXXAVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-10-4-5-12-13(7-10)17-14(16-12)9-15-8-11-3-2-6-18-11/h2-7,15H,8-9H2,1H3,(H,16,17).
What are the key properties of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine?
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 257.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 53274257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).