5-[[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]methyl]thiophene-3-carbonitrile

C15H14N4OS — CID 79539168

IUPAC5-[[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]methyl]thiophene-3-carbonitrile
SMILESCC(NCc1cc(C#N)cs1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H14N4OS/c1-9(17-7-12-4-10(6-16)8-21-12)11-2-3-13-14(5-11)19-15(20)18-13/h2-5,8-9,17H,7H2,1H3,(H2,18,19,20)
InChIKeyNMHVLWLYQSUKJT-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.64
Rot. Bonds4

About 5-[[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]methyl]thiophene-3-carbonitrile

5-[[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]methyl]thiophene-3-carbonitrile (PubChem CID 79539168) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-[[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]methyl]thiophene-3-carbonitrile
PubChem CID79539168
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name5-[[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]methyl]thiophene-3-carbonitrile
SMILESCC(NCc1cc(C#N)cs1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H14N4OS/c1-9(17-7-12-4-10(6-16)8-21-12)11-2-3-13-14(5-11)19-15(20)18-13/h2-5,8-9,17H,7H2,1H3,(H2,18,19,20)
InChIKeyNMHVLWLYQSUKJT-UHFFFAOYSA-N
XLogP2.64
TPSA84.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]thiophene-3-carbonitrile
CID 79538677
5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]thiophene-3-carbonitrile
CID 81376652
5-[[1-(3-nitrophenyl)ethylamino]methyl]thiophene-3-carbonitrile
CID 79553149
4-[1-[(4-chlorothiophen-2-yl)methylamino]ethyl]benzonitrile
CID 79420315
5-[1-[(5-methyl-2-pyridinyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 80711965
5-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 106392827
5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43370774
5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43204325
5-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]thiophene-3-carbonitrile
CID 81380013
5-[[1-(2-methoxyphenyl)ethylamino]methyl]thiophene-3-carbonitrile
CID 79545419
5-[1-[(1-ethylpyrrol-3-yl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 66416326
5-[(4-methylpentan-2-ylamino)methyl]thiophene-3-carbonitrile
CID 79614341

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]methyl]thiophene-3-carbonitrile (CID 79539168) is 5-[[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]methyl]thiophene-3-carbonitrile is CC(NCc1cc(C#N)cs1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]methyl]thiophene-3-carbonitrile?
The InChIKey is NMHVLWLYQSUKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-9(17-7-12-4-10(6-16)8-21-12)11-2-3-13-14(5-11)19-15(20)18-13/h2-5,8-9,17H,7H2,1H3,(H2,18,19,20).
What are the key properties of 5-[[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]methyl]thiophene-3-carbonitrile?
5-[[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]methyl]thiophene-3-carbonitrile has a molecular weight of 298.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 79539168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).