N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pentanamide

C20H23N3OS — CID 112767009

IUPACN-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pentanamide
SMILESCCCCC(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2
InChIInChI=1S/C20H23N3OS/c1-2-3-12-17(24)23-20-18(13-8-4-7-11-16(13)25-20)19-21-14-9-5-6-10-15(14)22-19/h5-6,9-10H,2-4,7-8,11-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyRELUDDCDHXACSL-UHFFFAOYSA-N
MW353.49 g/mol
LogP5.30
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pentanamide

N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pentanamide (PubChem CID 112767009) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pentanamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pentanamide
PubChem CID112767009
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pentanamide
SMILESCCCCC(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2
InChIInChI=1S/C20H23N3OS/c1-2-3-12-17(24)23-20-18(13-8-4-7-11-16(13)25-20)19-21-14-9-5-6-10-15(14)22-19/h5-6,9-10H,2-4,7-8,11-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyRELUDDCDHXACSL-UHFFFAOYSA-N
XLogP5.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.49
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylphenoxy)-N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
CID 2109125
N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3,5-dimethylphenoxy)acetamide
CID 18279528
N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methylthiophene-2-carboxamide
CID 2511423
N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 55381184
N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 55451631
N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-cyanophenoxy)acetamide
CID 112767033
N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 55338192
N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methoxybenzamide
CID 52896518
N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55666422
2-[2-[[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 55338289
N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 112766996
N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 55445782

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pentanamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pentanamide (CID 112767009) is N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pentanamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pentanamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pentanamide is CCCCC(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pentanamide?
The InChIKey is RELUDDCDHXACSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-2-3-12-17(24)23-20-18(13-8-4-7-11-16(13)25-20)19-21-14-9-5-6-10-15(14)22-19/h5-6,9-10H,2-4,7-8,11-12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pentanamide?
N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pentanamide has a molecular weight of 353.49 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pentanamide is sourced from PubChem (CID 112767009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).