1-butyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine

C16H19N3S — CID 2952705

IUPAC1-butyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine
SMILESCCCCn1c(NCc2cccs2)nc2ccccc21
InChIInChI=1S/C16H19N3S/c1-2-3-10-19-15-9-5-4-8-14(15)18-16(19)17-12-13-7-6-11-20-13/h4-9,11H,2-3,10,12H2,1H3,(H,17,18)
InChIKeyBESPFRYHFMIDRL-UHFFFAOYSA-N
MW285.42 g/mol
LogP4.51
Rot. Bonds6

About 1-butyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine

1-butyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine (PubChem CID 2952705) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 1-butyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine
PubChem CID2952705
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name1-butyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine
SMILESCCCCn1c(NCc2cccs2)nc2ccccc21
InChIInChI=1S/C16H19N3S/c1-2-3-10-19-15-9-5-4-8-14(15)18-16(19)17-12-13-7-6-11-20-13/h4-9,11H,2-3,10,12H2,1H3,(H,17,18)
InChIKeyBESPFRYHFMIDRL-UHFFFAOYSA-N
XLogP4.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 1-butyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine (CID 2952705) is 1-butyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-butyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 1-butyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine is CCCCn1c(NCc2cccs2)nc2ccccc21.
What is the InChIKey of 1-butyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine?
The InChIKey is BESPFRYHFMIDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-2-3-10-19-15-9-5-4-8-14(15)18-16(19)17-12-13-7-6-11-20-13/h4-9,11H,2-3,10,12H2,1H3,(H,17,18).
What are the key properties of 1-butyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine?
1-butyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine has a molecular weight of 285.42 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 2952705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).