3-chloro-N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;hydrochloride

C17H14Cl2N4OS — CID 42625704

IUPAC3-chloro-N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C2=NCCN2)cn1)c1sc2ccccc2c1Cl
InChIInChI=1S/C17H13ClN4OS.ClH/c18-14-11-3-1-2-4-12(11)24-15(14)17(23)22-13-6-5-10(9-21-13)16-19-7-8-20-16;/h1-6,9H,7-8H2,(H,19,20)(H,21,22,23);1H
InChIKeyVRZMRENAPPWRGN-UHFFFAOYSA-N
MW393.30 g/mol
LogP3.97
Rot. Bonds3

About 3-chloro-N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;hydrochloride

3-chloro-N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;hydrochloride (PubChem CID 42625704) has the molecular formula C17H14Cl2N4OS and a molecular weight of 393.30 g/mol. Its IUPAC name is 3-chloro-N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;hydrochloride
PubChem CID42625704
Molecular FormulaC17H14Cl2N4OS
Molecular Weight393.30 g/mol
Exact Mass392.03
IUPAC Name3-chloro-N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C2=NCCN2)cn1)c1sc2ccccc2c1Cl
InChIInChI=1S/C17H13ClN4OS.ClH/c18-14-11-3-1-2-4-12(11)24-15(14)17(23)22-13-6-5-10(9-21-13)16-19-7-8-20-16;/h1-6,9H,7-8H2,(H,19,20)(H,21,22,23);1H
InChIKeyVRZMRENAPPWRGN-UHFFFAOYSA-N
XLogP3.97
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;hydrochloride with MolForge

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Related Compounds

3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 32948486
3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 3128607
3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 1010573
1-N,2-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,2-dicarboxamide
CID 3036997
3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 2212200
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 4674669
2,5-dichloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride
CID 131880616
methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 39725242
2-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pyridine-2,6-dicarboxamide;dihydrochloride
CID 131876063
3-chloro-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 2851499
3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925
3-chloro-N-[2-(dimethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 4942446

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;hydrochloride?
The IUPAC name of 3-chloro-N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;hydrochloride (CID 42625704) is 3-chloro-N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-chloro-N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 3-chloro-N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(C2=NCCN2)cn1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;hydrochloride?
The InChIKey is VRZMRENAPPWRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4OS.ClH/c18-14-11-3-1-2-4-12(11)24-15(14)17(23)22-13-6-5-10(9-21-13)16-19-7-8-20-16;/h1-6,9H,7-8H2,(H,19,20)(H,21,22,23);1H.
What are the key properties of 3-chloro-N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;hydrochloride?
3-chloro-N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;hydrochloride has a molecular weight of 393.30 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 42625704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).