2-(ethylamino)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butanenitrile

C14H18N4OS — CID 63054769

IUPAC2-(ethylamino)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butanenitrile
SMILESCCNC(C#N)CCSc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C14H18N4OS/c1-3-16-10(9-15)6-7-20-14-17-12-5-4-11(19-2)8-13(12)18-14/h4-5,8,10,16H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyJAYDAARQKXORGS-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.56
Rot. Bonds7

About 2-(ethylamino)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butanenitrile

2-(ethylamino)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butanenitrile (PubChem CID 63054769) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(ethylamino)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butanenitrile
PubChem CID63054769
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-(ethylamino)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butanenitrile
SMILESCCNC(C#N)CCSc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C14H18N4OS/c1-3-16-10(9-15)6-7-20-14-17-12-5-4-11(19-2)8-13(12)18-14/h4-5,8,10,16H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyJAYDAARQKXORGS-UHFFFAOYSA-N
XLogP2.56
TPSA73.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1H-benzimidazol-2-ylsulfanyl)-2-(ethylamino)butanenitrile
CID 63053189
N-ethyl-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]hexan-2-amine
CID 64647947
6-methoxy-2-propylsulfanyl-1H-benzimidazole
CID 2650025
N-ethyl-1-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine
CID 107511303
2-but-3-ynylsulfanyl-6-methoxy-1H-benzimidazole
CID 63655056
3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-methylpropan-1-amine
CID 61386487
N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]prop-2-yn-1-amine
CID 62583192
6-methoxy-2-[2-(3-methylbutoxy)ethylsulfanyl]-1H-benzimidazole
CID 52695113
5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol
CID 62229190
N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]cyclopropanamine
CID 61386508
4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-(propylamino)butan-1-ol
CID 64927743
2-(2-azidoethylsulfanyl)-6-methoxy-1H-benzimidazole
CID 61397241

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butanenitrile?
The IUPAC name of 2-(ethylamino)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butanenitrile (CID 63054769) is 2-(ethylamino)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butanenitrile?
The canonical SMILES for 2-(ethylamino)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butanenitrile is CCNC(C#N)CCSc1nc2ccc(OC)cc2[nH]1.
What is the InChIKey of 2-(ethylamino)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butanenitrile?
The InChIKey is JAYDAARQKXORGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-16-10(9-15)6-7-20-14-17-12-5-4-11(19-2)8-13(12)18-14/h4-5,8,10,16H,3,6-7H2,1-2H3,(H,17,18).
What are the key properties of 2-(ethylamino)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butanenitrile?
2-(ethylamino)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butanenitrile has a molecular weight of 290.39 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butanenitrile is sourced from PubChem (CID 63054769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).