N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methyl-3H-benzimidazole-5-carboxamide

C22H24N4O2 — CID 56891709

IUPACN-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)N[C@@H]3c4ccccc4C4(CCNCC4)[C@H]3O)cc2[nH]1
InChIInChI=1S/C22H24N4O2/c1-13-24-17-7-6-14(12-18(17)25-13)21(28)26-19-15-4-2-3-5-16(15)22(20(19)27)8-10-23-11-9-22/h2-7,12,19-20,23,27H,8-11H2,1H3,(H,24,25)(H,26,28)/t19-,20+/m1/s1
InChIKeyPGNGBOZZQBXVQK-UXHICEINSA-N
MW376.46 g/mol
LogP2.34
Rot. Bonds2

About N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methyl-3H-benzimidazole-5-carboxamide

N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methyl-3H-benzimidazole-5-carboxamide (PubChem CID 56891709) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methyl-3H-benzimidazole-5-carboxamide
PubChem CID56891709
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)N[C@@H]3c4ccccc4C4(CCNCC4)[C@H]3O)cc2[nH]1
InChIInChI=1S/C22H24N4O2/c1-13-24-17-7-6-14(12-18(17)25-13)21(28)26-19-15-4-2-3-5-16(15)22(20(19)27)8-10-23-11-9-22/h2-7,12,19-20,23,27H,8-11H2,1H3,(H,24,25)(H,26,28)/t19-,20+/m1/s1
InChIKeyPGNGBOZZQBXVQK-UXHICEINSA-N
XLogP2.34
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methyl-3H-benzimidazole-5-carboxamide (CID 56891709) is N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methyl-3H-benzimidazole-5-carboxamide is Cc1nc2ccc(C(=O)N[C@@H]3c4ccccc4C4(CCNCC4)[C@H]3O)cc2[nH]1.
What is the InChIKey of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methyl-3H-benzimidazole-5-carboxamide?
The InChIKey is PGNGBOZZQBXVQK-UXHICEINSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-13-24-17-7-6-14(12-18(17)25-13)21(28)26-19-15-4-2-3-5-16(15)22(20(19)27)8-10-23-11-9-22/h2-7,12,19-20,23,27H,8-11H2,1H3,(H,24,25)(H,26,28)/t19-,20+/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methyl-3H-benzimidazole-5-carboxamide?
N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methyl-3H-benzimidazole-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.34, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 56891709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).