1-[(5-ethylthiophen-2-yl)methyl]-5-methoxybenzimidazol-2-amine

C15H17N3OS — CID 106008088

IUPAC1-[(5-ethylthiophen-2-yl)methyl]-5-methoxybenzimidazol-2-amine
SMILESCCc1ccc(Cn2c(N)nc3cc(OC)ccc32)s1
InChIInChI=1S/C15H17N3OS/c1-3-11-5-6-12(20-11)9-18-14-7-4-10(19-2)8-13(14)17-15(18)16/h4-8H,3,9H2,1-2H3,(H2,16,17)
InChIKeyOPUOORSHAVXOLQ-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.30
Rot. Bonds4

About 1-[(5-ethylthiophen-2-yl)methyl]-5-methoxybenzimidazol-2-amine

1-[(5-ethylthiophen-2-yl)methyl]-5-methoxybenzimidazol-2-amine (PubChem CID 106008088) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-[(5-ethylthiophen-2-yl)methyl]-5-methoxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-[(5-ethylthiophen-2-yl)methyl]-5-methoxybenzimidazol-2-amine
PubChem CID106008088
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-[(5-ethylthiophen-2-yl)methyl]-5-methoxybenzimidazol-2-amine
SMILESCCc1ccc(Cn2c(N)nc3cc(OC)ccc32)s1
InChIInChI=1S/C15H17N3OS/c1-3-11-5-6-12(20-11)9-18-14-7-4-10(19-2)8-13(14)17-15(18)16/h4-8H,3,9H2,1-2H3,(H2,16,17)
InChIKeyOPUOORSHAVXOLQ-UHFFFAOYSA-N
XLogP3.30
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methoxybenzimidazol-2-amine
CID 115990874
5-bromo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 43661463
5-iodo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66080984
1-[(5-bromothiophen-2-yl)methyl]-5,6-dimethoxybenzimidazol-2-amine
CID 83003457
1-[3-(dimethylamino)propyl]-5-methoxybenzimidazol-2-amine
CID 15955948
5-methoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine
CID 106326321
5-methoxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106406245
1-ethyl-6-methoxybenzimidazol-2-amine
CID 18761807
1-[(5-bromothiophen-2-yl)methyl]-5-iodobenzimidazol-2-amine
CID 66080809
2-(2-amino-5-methoxybenzimidazol-1-yl)ethylurea
CID 83114952
(1-ethyl-5-methoxybenzimidazol-2-yl)methanamine
CID 80503172
1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxybenzimidazol-2-amine
CID 106035989

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-5-methoxybenzimidazol-2-amine?
The IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-5-methoxybenzimidazol-2-amine (CID 106008088) is 1-[(5-ethylthiophen-2-yl)methyl]-5-methoxybenzimidazol-2-amine.
What is the SMILES notation for 1-[(5-ethylthiophen-2-yl)methyl]-5-methoxybenzimidazol-2-amine?
The canonical SMILES for 1-[(5-ethylthiophen-2-yl)methyl]-5-methoxybenzimidazol-2-amine is CCc1ccc(Cn2c(N)nc3cc(OC)ccc32)s1.
What is the InChIKey of 1-[(5-ethylthiophen-2-yl)methyl]-5-methoxybenzimidazol-2-amine?
The InChIKey is OPUOORSHAVXOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-3-11-5-6-12(20-11)9-18-14-7-4-10(19-2)8-13(14)17-15(18)16/h4-8H,3,9H2,1-2H3,(H2,16,17).
What are the key properties of 1-[(5-ethylthiophen-2-yl)methyl]-5-methoxybenzimidazol-2-amine?
1-[(5-ethylthiophen-2-yl)methyl]-5-methoxybenzimidazol-2-amine has a molecular weight of 287.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophen-2-yl)methyl]-5-methoxybenzimidazol-2-amine is sourced from PubChem (CID 106008088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).