1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine

C19H17N3OS — CID 660506

IUPAC1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine
SMILESCOc1ccc(-n2cnc3cc(NCc4cccs4)ccc32)cc1
InChIInChI=1S/C19H17N3OS/c1-23-16-7-5-15(6-8-16)22-13-21-18-11-14(4-9-19(18)22)20-12-17-3-2-10-24-17/h2-11,13,20H,12H2,1H3
InChIKeyTVVQLBGZRZUAEN-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.71
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine

1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine (PubChem CID 660506) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine
PubChem CID660506
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine
SMILESCOc1ccc(-n2cnc3cc(NCc4cccs4)ccc32)cc1
InChIInChI=1S/C19H17N3OS/c1-23-16-7-5-15(6-8-16)22-13-21-18-11-14(4-9-19(18)22)20-12-17-3-2-10-24-17/h2-11,13,20H,12H2,1H3
InChIKeyTVVQLBGZRZUAEN-UHFFFAOYSA-N
XLogP4.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine (CID 660506) is 1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine is COc1ccc(-n2cnc3cc(NCc4cccs4)ccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine?
The InChIKey is TVVQLBGZRZUAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-23-16-7-5-15(6-8-16)22-13-21-18-11-14(4-9-19(18)22)20-12-17-3-2-10-24-17/h2-11,13,20H,12H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine?
1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine has a molecular weight of 335.43 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine is sourced from PubChem (CID 660506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).