4-[2-(2,3-dihydro-1H-inden-5-ylamino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carbaldehyde

C23H20N4O2 — CID 90769463

IUPAC4-[2-(2,3-dihydro-1H-inden-5-ylamino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carbaldehyde
SMILESCn1c(Nc2ccc3c(c2)CCC3)nc2cc(Oc3ccnc(C=O)c3)ccc21
InChIInChI=1S/C23H20N4O2/c1-27-22-8-7-19(29-20-9-10-24-18(12-20)14-28)13-21(22)26-23(27)25-17-6-5-15-3-2-4-16(15)11-17/h5-14H,2-4H2,1H3,(H,25,26)
InChIKeyHHUMSVWMNMXDPX-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.81
Rot. Bonds5

About 4-[2-(2,3-dihydro-1H-inden-5-ylamino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carbaldehyde

4-[2-(2,3-dihydro-1H-inden-5-ylamino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carbaldehyde (PubChem CID 90769463) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[2-(2,3-dihydro-1H-inden-5-ylamino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-[2-(2,3-dihydro-1H-inden-5-ylamino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carbaldehyde
PubChem CID90769463
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name4-[2-(2,3-dihydro-1H-inden-5-ylamino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carbaldehyde
SMILESCn1c(Nc2ccc3c(c2)CCC3)nc2cc(Oc3ccnc(C=O)c3)ccc21
InChIInChI=1S/C23H20N4O2/c1-27-22-8-7-19(29-20-9-10-24-18(12-20)14-28)13-21(22)26-23(27)25-17-6-5-15-3-2-4-16(15)11-17/h5-14H,2-4H2,1H3,(H,25,26)
InChIKeyHHUMSVWMNMXDPX-UHFFFAOYSA-N
XLogP4.81
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-5-pyridin-4-yloxybenzimidazol-2-amine
CID 142682626
4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carbaldehyde
CID 91351416
4-[1-methyl-2-(3-propan-2-yloxyanilino)benzimidazol-5-yl]oxypyridine-2-carbaldehyde
CID 91490598
(NZ)-N-[[4-[2-[4-chloro-3-(1,1-difluoroethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]methylidene]hydroxylamine
CID 172943168
N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-N-piperidin-3-ylformamide
CID 87452433
N-methyl-4-[1-methyl-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041150
4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxypyridine-2-carbonitrile
CID 70839088
N-methyl-4-[1-methyl-2-[4-(methylamino)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041311
N-(3,4-dimethylphenyl)-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine
CID 91112791
N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-methylpiperidin-1-ium-1-carboxamide
CID 22040515
2-amino-N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 59790226
N-methyl-4-[1-methyl-2-[4-(propan-2-ylcarbamoyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040471

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dihydro-1H-inden-5-ylamino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carbaldehyde?
The IUPAC name of 4-[2-(2,3-dihydro-1H-inden-5-ylamino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carbaldehyde (CID 90769463) is 4-[2-(2,3-dihydro-1H-inden-5-ylamino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carbaldehyde.
What is the SMILES notation for 4-[2-(2,3-dihydro-1H-inden-5-ylamino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carbaldehyde?
The canonical SMILES for 4-[2-(2,3-dihydro-1H-inden-5-ylamino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carbaldehyde is Cn1c(Nc2ccc3c(c2)CCC3)nc2cc(Oc3ccnc(C=O)c3)ccc21.
What is the InChIKey of 4-[2-(2,3-dihydro-1H-inden-5-ylamino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carbaldehyde?
The InChIKey is HHUMSVWMNMXDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-27-22-8-7-19(29-20-9-10-24-18(12-20)14-28)13-21(22)26-23(27)25-17-6-5-15-3-2-4-16(15)11-17/h5-14H,2-4H2,1H3,(H,25,26).
What are the key properties of 4-[2-(2,3-dihydro-1H-inden-5-ylamino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carbaldehyde?
4-[2-(2,3-dihydro-1H-inden-5-ylamino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carbaldehyde has a molecular weight of 384.44 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dihydro-1H-inden-5-ylamino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carbaldehyde is sourced from PubChem (CID 90769463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).