3-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]benzamide

C22H20N6OS — CID 66628771

IUPAC3-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]benzamide
SMILESO=C(Nc1csc(-c2nncn2C2CC2)c1)c1cccc(-n2cnc(C3CC3)c2)c1
InChIInChI=1S/C22H20N6OS/c29-22(15-2-1-3-18(8-15)27-10-19(23-12-27)14-4-5-14)25-16-9-20(30-11-16)21-26-24-13-28(21)17-6-7-17/h1-3,8-14,17H,4-7H2,(H,25,29)
InChIKeyVRVRHOCZHHOZQJ-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.66
Rot. Bonds6

About 3-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]benzamide

3-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]benzamide (PubChem CID 66628771) has the molecular formula C22H20N6OS and a molecular weight of 416.51 g/mol. Its IUPAC name is 3-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]benzamide.

Molecular Properties

Compound Name3-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]benzamide
PubChem CID66628771
Molecular FormulaC22H20N6OS
Molecular Weight416.51 g/mol
Exact Mass416.14
IUPAC Name3-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]benzamide
SMILESO=C(Nc1csc(-c2nncn2C2CC2)c1)c1cccc(-n2cnc(C3CC3)c2)c1
InChIInChI=1S/C22H20N6OS/c29-22(15-2-1-3-18(8-15)27-10-19(23-12-27)14-4-5-14)25-16-9-20(30-11-16)21-26-24-13-28(21)17-6-7-17/h1-3,8-14,17H,4-7H2,(H,25,29)
InChIKeyVRVRHOCZHHOZQJ-UHFFFAOYSA-N
XLogP4.66
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluoro-4-methoxybenzamide
CID 66628753
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-[4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]imidazol-1-yl]benzamide
CID 166690992
4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide
CID 58102989
3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-indazole
CID 164621066
4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide
CID 66851754
3-[4-(1-acetylpiperidin-4-yl)imidazol-1-yl]benzoic acid
CID 174718580
4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4,5-dihydro-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide
CID 126761918
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-phenoxybenzamide
CID 135347965
4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine
CID 159244119
3-(4-cyclopentyl-1,2,4-triazol-3-yl)-N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]pyridine-2-carboxamide
CID 175026204
4-(4-cyclopropylimidazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
CID 70802176
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(5-propan-2-yl-1,2-dihydroimidazol-3-yl)benzamide
CID 155359333

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]benzamide?
The IUPAC name of 3-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]benzamide (CID 66628771) is 3-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]benzamide.
What is the SMILES notation for 3-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]benzamide?
The canonical SMILES for 3-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]benzamide is O=C(Nc1csc(-c2nncn2C2CC2)c1)c1cccc(-n2cnc(C3CC3)c2)c1.
What is the InChIKey of 3-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]benzamide?
The InChIKey is VRVRHOCZHHOZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6OS/c29-22(15-2-1-3-18(8-15)27-10-19(23-12-27)14-4-5-14)25-16-9-20(30-11-16)21-26-24-13-28(21)17-6-7-17/h1-3,8-14,17H,4-7H2,(H,25,29).
What are the key properties of 3-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]benzamide?
3-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]benzamide has a molecular weight of 416.51 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]benzamide is sourced from PubChem (CID 66628771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).