(5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone

C26H32N4O2 — CID 68513196

IUPAC(5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone
SMILESCc1ccc2c(c1)nc(C(C)(C)O)n2C1CCN(C(=O)C2Cc3ccc(N)cc3C2)CC1
InChIInChI=1S/C26H32N4O2/c1-16-4-7-23-22(12-16)28-25(26(2,3)32)30(23)21-8-10-29(11-9-21)24(31)19-13-17-5-6-20(27)15-18(17)14-19/h4-7,12,15,19,21,32H,8-11,13-14,27H2,1-3H3
InChIKeyCBZGXESGZKSNDH-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.73
Rot. Bonds3

About (5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone

(5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone (PubChem CID 68513196) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is (5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone
PubChem CID68513196
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name(5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone
SMILESCc1ccc2c(c1)nc(C(C)(C)O)n2C1CCN(C(=O)C2Cc3ccc(N)cc3C2)CC1
InChIInChI=1S/C26H32N4O2/c1-16-4-7-23-22(12-16)28-25(26(2,3)32)30(23)21-8-10-29(11-9-21)24(31)19-13-17-5-6-20(27)15-18(17)14-19/h4-7,12,15,19,21,32H,8-11,13-14,27H2,1-3H3
InChIKeyCBZGXESGZKSNDH-UHFFFAOYSA-N
XLogP3.73
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone (CID 68513196) is (5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone is Cc1ccc2c(c1)nc(C(C)(C)O)n2C1CCN(C(=O)C2Cc3ccc(N)cc3C2)CC1.
What is the InChIKey of (5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is CBZGXESGZKSNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-16-4-7-23-22(12-16)28-25(26(2,3)32)30(23)21-8-10-29(11-9-21)24(31)19-13-17-5-6-20(27)15-18(17)14-19/h4-7,12,15,19,21,32H,8-11,13-14,27H2,1-3H3.
What are the key properties of (5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone?
(5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 432.57 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 68513196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).