[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)methanone

C25H25N5O3 — CID 91821731

IUPAC[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)methanone
SMILESCOc1cc2c(cc1OC)-c1n[nH]c(C(=O)N3CCCCC3c3nc4ccccc4[nH]3)c1C2
InChIInChI=1S/C25H25N5O3/c1-32-20-12-14-11-16-22(15(14)13-21(20)33-2)28-29-23(16)25(31)30-10-6-5-9-19(30)24-26-17-7-3-4-8-18(17)27-24/h3-4,7-8,12-13,19H,5-6,9-11H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyQSCZWQBFAOMRMO-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.24
Rot. Bonds4

About [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)methanone

[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)methanone (PubChem CID 91821731) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)methanone
PubChem CID91821731
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)methanone
SMILESCOc1cc2c(cc1OC)-c1n[nH]c(C(=O)N3CCCCC3c3nc4ccccc4[nH]3)c1C2
InChIInChI=1S/C25H25N5O3/c1-32-20-12-14-11-16-22(15(14)13-21(20)33-2)28-29-23(16)25(31)30-10-6-5-9-19(30)24-26-17-7-3-4-8-18(17)27-24/h3-4,7-8,12-13,19H,5-6,9-11H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyQSCZWQBFAOMRMO-UHFFFAOYSA-N
XLogP4.24
TPSA96.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
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1-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
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2-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carboxamide
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4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
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[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)methanone?
The IUPAC name of [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)methanone (CID 91821731) is [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)methanone.
What is the SMILES notation for [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)methanone?
The canonical SMILES for [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)methanone is COc1cc2c(cc1OC)-c1n[nH]c(C(=O)N3CCCCC3c3nc4ccccc4[nH]3)c1C2.
What is the InChIKey of [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)methanone?
The InChIKey is QSCZWQBFAOMRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-32-20-12-14-11-16-22(15(14)13-21(20)33-2)28-29-23(16)25(31)30-10-6-5-9-19(30)24-26-17-7-3-4-8-18(17)27-24/h3-4,7-8,12-13,19H,5-6,9-11H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)methanone?
[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)methanone has a molecular weight of 443.51 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)methanone is sourced from PubChem (CID 91821731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).