N-(1-tert-butylbenzimidazol-5-yl)thiophene-2-carboxamide

C16H17N3OS — CID 828721

IUPACN-(1-tert-butylbenzimidazol-5-yl)thiophene-2-carboxamide
SMILESCC(C)(C)n1cnc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C16H17N3OS/c1-16(2,3)19-10-17-12-9-11(6-7-13(12)19)18-15(20)14-5-4-8-21-14/h4-10H,1-3H3,(H,18,20)
InChIKeyKWASWJQOIWDSGD-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.11
Rot. Bonds2

About N-(1-tert-butylbenzimidazol-5-yl)thiophene-2-carboxamide

N-(1-tert-butylbenzimidazol-5-yl)thiophene-2-carboxamide (PubChem CID 828721) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(1-tert-butylbenzimidazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butylbenzimidazol-5-yl)thiophene-2-carboxamide
PubChem CID828721
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-(1-tert-butylbenzimidazol-5-yl)thiophene-2-carboxamide
SMILESCC(C)(C)n1cnc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C16H17N3OS/c1-16(2,3)19-10-17-12-9-11(6-7-13(12)19)18-15(20)14-5-4-8-21-14/h4-10H,1-3H3,(H,18,20)
InChIKeyKWASWJQOIWDSGD-UHFFFAOYSA-N
XLogP4.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylbenzimidazol-5-yl)thiophene-2-carboxamide
CID 828717
N-(2,3-dimethylquinoxalin-6-yl)thiophene-2-carboxamide
CID 110723801
N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]thiophene-2-carboxamide
CID 18342827
N-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide
CID 110442376
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 22577324
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]thiophene-2-carboxamide
CID 1141365
N-(1,3-benzoxazol-6-yl)thiophene-2-carboxamide
CID 110728841
N-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide
CID 64794383
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 100550008
N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide
CID 46263459

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylbenzimidazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-tert-butylbenzimidazol-5-yl)thiophene-2-carboxamide (CID 828721) is N-(1-tert-butylbenzimidazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-tert-butylbenzimidazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-tert-butylbenzimidazol-5-yl)thiophene-2-carboxamide is CC(C)(C)n1cnc2cc(NC(=O)c3cccs3)ccc21.
What is the InChIKey of N-(1-tert-butylbenzimidazol-5-yl)thiophene-2-carboxamide?
The InChIKey is KWASWJQOIWDSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-16(2,3)19-10-17-12-9-11(6-7-13(12)19)18-15(20)14-5-4-8-21-14/h4-10H,1-3H3,(H,18,20).
What are the key properties of N-(1-tert-butylbenzimidazol-5-yl)thiophene-2-carboxamide?
N-(1-tert-butylbenzimidazol-5-yl)thiophene-2-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylbenzimidazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 828721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).