N-[3-(1-methylbenzimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide

C21H23N3O2 — CID 56792618

IUPACN-[3-(1-methylbenzimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCn1c(CCCNC(=O)C2COc3ccccc3C2)nc2ccccc21
InChIInChI=1S/C21H23N3O2/c1-24-18-9-4-3-8-17(18)23-20(24)11-6-12-22-21(25)16-13-15-7-2-5-10-19(15)26-14-16/h2-5,7-10,16H,6,11-14H2,1H3,(H,22,25)
InChIKeyHHZCWAOTOXLYJS-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.87
Rot. Bonds5

About N-[3-(1-methylbenzimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[3-(1-methylbenzimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 56792618) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[3-(1-methylbenzimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methylbenzimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID56792618
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[3-(1-methylbenzimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCn1c(CCCNC(=O)C2COc3ccccc3C2)nc2ccccc21
InChIInChI=1S/C21H23N3O2/c1-24-18-9-4-3-8-17(18)23-20(24)11-6-12-22-21(25)16-13-15-7-2-5-10-19(15)26-14-16/h2-5,7-10,16H,6,11-14H2,1H3,(H,22,25)
InChIKeyHHZCWAOTOXLYJS-UHFFFAOYSA-N
XLogP2.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119889963
N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578103
N-(4-hydroxybutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106843420
N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769
(3S)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97029666
N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578122
4-(3,4-dihydro-2H-chromene-3-carbonylamino)butanoic acid
CID 43241764
N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578144
(3R)-N-(3-methylsulfonylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95644954
N-[3-(1-methylbenzimidazol-2-yl)propyl]-1-propanoylpiperidine-3-carboxamide
CID 72904958
N-(3-cyanopropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63589285
6-(3,4-dihydro-2H-chromene-3-carbonylamino)hexanoic acid
CID 43241983

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylbenzimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[3-(1-methylbenzimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 56792618) is N-[3-(1-methylbenzimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[3-(1-methylbenzimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[3-(1-methylbenzimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide is Cn1c(CCCNC(=O)C2COc3ccccc3C2)nc2ccccc21.
What is the InChIKey of N-[3-(1-methylbenzimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is HHZCWAOTOXLYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-24-18-9-4-3-8-17(18)23-20(24)11-6-12-22-21(25)16-13-15-7-2-5-10-19(15)26-14-16/h2-5,7-10,16H,6,11-14H2,1H3,(H,22,25).
What are the key properties of N-[3-(1-methylbenzimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[3-(1-methylbenzimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylbenzimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 56792618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).