2,3-dihydroindol-1-yl-[2-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]methanone

C25H25N5O — CID 133346714

IUPAC2,3-dihydroindol-1-yl-[2-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]methanone
SMILESCn1c(CCCNc2ncccc2C(=O)N2CCc3ccccc32)nc2ccccc21
InChIInChI=1S/C25H25N5O/c1-29-22-12-5-3-10-20(22)28-23(29)13-7-16-27-24-19(9-6-15-26-24)25(31)30-17-14-18-8-2-4-11-21(18)30/h2-6,8-12,15H,7,13-14,16-17H2,1H3,(H,26,27)
InChIKeyACZAIXGINXIWEG-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.22
Rot. Bonds6

About 2,3-dihydroindol-1-yl-[2-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]methanone

2,3-dihydroindol-1-yl-[2-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]methanone (PubChem CID 133346714) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]methanone
PubChem CID133346714
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name2,3-dihydroindol-1-yl-[2-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]methanone
SMILESCn1c(CCCNc2ncccc2C(=O)N2CCc3ccccc32)nc2ccccc21
InChIInChI=1S/C25H25N5O/c1-29-22-12-5-3-10-20(22)28-23(29)13-7-16-27-24-19(9-6-15-26-24)25(31)30-17-14-18-8-2-4-11-21(18)30/h2-6,8-12,15H,7,13-14,16-17H2,1H3,(H,26,27)
InChIKeyACZAIXGINXIWEG-UHFFFAOYSA-N
XLogP4.22
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroindol-1-yl-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-pyridinyl]methanone
CID 133347562
[2-[2-(5-bromofuran-2-yl)ethylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133374967
[2-[(4-bromophenyl)methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133320455
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 71983544
2,3-dihydroindol-1-yl-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-pyridinyl]methanone
CID 133342903
2,3-dihydroindol-1-yl-[2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-3-pyridinyl]methanone
CID 133491606
2,3-dihydroindol-1-yl-[2-[(2-phenylcyclopropyl)methylamino]-3-pyridinyl]methanone
CID 133322063
[2-[[4-(difluoromethyl)phenyl]methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133474821
2,3-dihydroindol-1-yl-[2-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]-3-pyridinyl]methanone
CID 133321187
[5-chloro-6-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133346754
2,3-dihydroindol-1-yl-[2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-3-pyridinyl]methanone
CID 133321999
4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 133346658

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]methanone (CID 133346714) is 2,3-dihydroindol-1-yl-[2-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]methanone is Cn1c(CCCNc2ncccc2C(=O)N2CCc3ccccc32)nc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]methanone?
The InChIKey is ACZAIXGINXIWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-29-22-12-5-3-10-20(22)28-23(29)13-7-16-27-24-19(9-6-15-26-24)25(31)30-17-14-18-8-2-4-11-21(18)30/h2-6,8-12,15H,7,13-14,16-17H2,1H3,(H,26,27).
What are the key properties of 2,3-dihydroindol-1-yl-[2-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[2-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]methanone has a molecular weight of 411.51 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[2-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]methanone is sourced from PubChem (CID 133346714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).