N-ethyl-1-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine

C14H21N3O2S — CID 107511303

IUPACN-ethyl-1-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine
SMILESCCNC(COC)CSc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C14H21N3O2S/c1-4-15-10(8-18-2)9-20-14-16-12-6-5-11(19-3)7-13(12)17-14/h5-7,10,15H,4,8-9H2,1-3H3,(H,16,17)
InChIKeyKCWVCEAWPUXRQP-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.29
Rot. Bonds8

About N-ethyl-1-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine

N-ethyl-1-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine (PubChem CID 107511303) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-ethyl-1-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine
PubChem CID107511303
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-ethyl-1-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine
SMILESCCNC(COC)CSc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C14H21N3O2S/c1-4-15-10(8-18-2)9-20-14-16-12-6-5-11(19-3)7-13(12)17-14/h5-7,10,15H,4,8-9H2,1-3H3,(H,16,17)
InChIKeyKCWVCEAWPUXRQP-UHFFFAOYSA-N
XLogP2.29
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine (CID 107511303) is N-ethyl-1-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine is CCNC(COC)CSc1nc2ccc(OC)cc2[nH]1.
What is the InChIKey of N-ethyl-1-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine?
The InChIKey is KCWVCEAWPUXRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-4-15-10(8-18-2)9-20-14-16-12-6-5-11(19-3)7-13(12)17-14/h5-7,10,15H,4,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-ethyl-1-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine?
N-ethyl-1-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine has a molecular weight of 295.41 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine is sourced from PubChem (CID 107511303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).