N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

C16H19N3O2 — CID 72837426

IUPACN-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1cnc(CCNC(=O)C2COc3ccccc3C2)[nH]1
InChIInChI=1S/C16H19N3O2/c1-11-9-18-15(19-11)6-7-17-16(20)13-8-12-4-2-3-5-14(12)21-10-13/h2-5,9,13H,6-8,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyXFGRCDJCVJJQGJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.63
Rot. Bonds4

About N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 72837426) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID72837426
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1cnc(CCNC(=O)C2COc3ccccc3C2)[nH]1
InChIInChI=1S/C16H19N3O2/c1-11-9-18-15(19-11)6-7-17-16(20)13-8-12-4-2-3-5-14(12)21-10-13/h2-5,9,13H,6-8,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyXFGRCDJCVJJQGJ-UHFFFAOYSA-N
XLogP1.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97281473
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
(3R)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97273369
(3S)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97273370
N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72928307
N-[2-(4-methylpyrazol-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72909703
N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578103
(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
N-(4-hydroxybutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106843420
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 61022270
N-(3-cyanopropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63589285

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 72837426) is N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is Cc1cnc(CCNC(=O)C2COc3ccccc3C2)[nH]1.
What is the InChIKey of N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is XFGRCDJCVJJQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-9-18-15(19-11)6-7-17-16(20)13-8-12-4-2-3-5-14(12)21-10-13/h2-5,9,13H,6-8,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 72837426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).