N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylthiophen-2-yl)methanamine

C14H15N3S — CID 66526943

IUPACN-(1H-benzimidazol-2-ylmethyl)-1-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1CNCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H15N3S/c1-10-6-7-18-13(10)8-15-9-14-16-11-4-2-3-5-12(11)17-14/h2-7,15H,8-9H2,1H3,(H,16,17)
InChIKeyKEIOEXNKAYFFNP-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.22
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylthiophen-2-yl)methanamine

N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylthiophen-2-yl)methanamine (PubChem CID 66526943) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-1-(3-methylthiophen-2-yl)methanamine
PubChem CID66526943
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-1-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1CNCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H15N3S/c1-10-6-7-18-13(10)8-15-9-14-16-11-4-2-3-5-12(11)17-14/h2-7,15H,8-9H2,1H3,(H,16,17)
InChIKeyKEIOEXNKAYFFNP-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

2-(1H-benzimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 66527309
1-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-3-[(3-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111893548
N-(1H-benzimidazol-2-ylmethyl)-1-(2,5-dimethylthiophen-3-yl)methanamine
CID 78991548
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407
N-(1H-benzimidazol-2-ylmethyl)-1-(4-chlorothiophen-2-yl)methanamine
CID 79427479
N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylimidazol-4-yl)methanamine
CID 79026925
N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
CID 15365342
1-(3-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60977816
N-(1H-benzimidazol-2-ylmethyl)-1-(2,6-difluorophenyl)methanamine
CID 78911282
N-(1H-benzimidazol-2-ylmethyl)-1-(2-bromophenyl)methanamine
CID 78911270
N-(1H-benzimidazol-2-ylmethyl)-1-(1-methylpyrrol-2-yl)methanamine
CID 78913462
1-[3-(1H-benzimidazol-2-yl)propyl]-3-ethyl-2-[(3-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111893676

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylthiophen-2-yl)methanamine (CID 66526943) is N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylthiophen-2-yl)methanamine is Cc1ccsc1CNCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylthiophen-2-yl)methanamine?
The InChIKey is KEIOEXNKAYFFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-10-6-7-18-13(10)8-15-9-14-16-11-4-2-3-5-12(11)17-14/h2-7,15H,8-9H2,1H3,(H,16,17).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylthiophen-2-yl)methanamine?
N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylthiophen-2-yl)methanamine 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-(1H-benzimidazol-2-ylmethyl)-1-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 66526943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).