N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C14H17N3OS — CID 91628347

IUPACN-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCc1cccs1)C1CCc2nc[nH]c2C1
InChIInChI=1S/C14H17N3OS/c18-14(15-6-5-11-2-1-7-19-11)10-3-4-12-13(8-10)17-9-16-12/h1-2,7,9-10H,3-6,8H2,(H,15,18)(H,16,17)
InChIKeyBOPNNTWESXYALN-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.93
Rot. Bonds4

About N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 91628347) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID91628347
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCc1cccs1)C1CCc2nc[nH]c2C1
InChIInChI=1S/C14H17N3OS/c18-14(15-6-5-11-2-1-7-19-11)10-3-4-12-13(8-10)17-9-16-12/h1-2,7,9-10H,3-6,8H2,(H,15,18)(H,16,17)
InChIKeyBOPNNTWESXYALN-UHFFFAOYSA-N
XLogP1.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N1-[3-(1H-Imidazol-4-yl)propyl]-N2-[3-(thiophen-2-yl)butanoyl] guanidine
CID 25149708
N-[2-(1H-imidazol-4-yl)ethyl]-2-(thiophen-2-yl)acetamide
CID 4053681
hydrocinnamoyl-His-2Thi-NH2
CID 11604582
N-(thiophen-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 16374372
5-Ethyl-1'-[3-(2-thienyl)propanoyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72852995
5-Acetyl-1'-(2-thienylacetyl)-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72875702
5-Methyl-1'-[3-(2-thienyl)propanoyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72883510
1-(3,4,6,7-Tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-thiophen-2-ylethanone
CID 53145215
2-Methyl-1-(3-methylphenyl)-4-[2-(2-thienyl)isonicotinoyl]piperazine
CID 53145372
2-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1H-benzo[d]imidazole-5-carboxamide
CID 91628413
(6S)-N-(thiophen-2-ylmethyl)spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,1'-cyclopentane]-6-carboxamide
CID 132331272
(6S)-N-(2-methylpropyl)-1'-(thiophen-2-ylmethyl)spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-6-carboxamide
CID 132336790

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 91628347) is N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is O=C(NCCc1cccs1)C1CCc2nc[nH]c2C1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is BOPNNTWESXYALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c18-14(15-6-5-11-2-1-7-19-11)10-3-4-12-13(8-10)17-9-16-12/h1-2,7,9-10H,3-6,8H2,(H,15,18)(H,16,17).
What are the key properties of N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 91628347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).