N-(2,3-dihydro-1H-inden-2-yl)-5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]thiophene-2-carboxamide

C22H24N4OS — CID 31104740

About N-(2,3-dihydro-1H-inden-2-yl)-5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]thiophene-2-carboxamide

N-(2,3-dihydro-1H-inden-2-yl)-5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 31104740) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1H-inden-2-yl)-5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]thiophene-2-carboxamide
• PubChem CID: 31104740
• Molecular Formula: C22H24N4OS
• Molecular Weight: 392.53 g/mol
• Exact Mass: 392.17
• IUPAC Name: N-(2,3-dihydro-1H-inden-2-yl)-5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]thiophene-2-carboxamide
• SMILES: O=C(NC1Cc2ccccc2C1)c1ccc([C@H]2CCCN2Cc2ncc[nH]2)s1
• InChI: InChI=1S/C22H24N4OS/c27-22(25-17-12-15-4-1-2-5-16(15)13-17)20-8-7-19(28-20)18-6-3-11-26(18)14-21-23-9-10-24-21/h1-2,4-5,7-10,17-18H,3,6,11-14H2,(H,23,24)(H,25,27)/t18-/m1/s1
• InChIKey: KYIMUVOQMGQBHN-GOSISDBHSA-N
• XLogP: 3.71
• TPSA: 61.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.53
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]thiophene-2-carboxamide (CID 31104740) is N-(2,3-dihydro-1H-inden-2-yl)-5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]thiophene-2-carboxamide is O=C(NC1Cc2ccccc2C1)c1ccc([C@H]2CCCN2Cc2ncc[nH]2)s1.

What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]thiophene-2-carboxamide?

The InChIKey is KYIMUVOQMGQBHN-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24N4OS/c27-22(25-17-12-15-4-1-2-5-16(15)13-17)20-8-7-19(28-20)18-6-3-11-26(18)14-21-23-9-10-24-21/h1-2,4-5,7-10,17-18H,3,6,11-14H2,(H,23,24)(H,25,27)/t18-/m1/s1.

What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]thiophene-2-carboxamide?

N-(2,3-dihydro-1H-inden-2-yl)-5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 392.53 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1H-inden-2-yl)-5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 31104740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).