N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C20H19N3O2 — CID 18103540

IUPACN-[(1-methylimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCn1ccnc1C(NC(=O)C1Cc2ccccc2O1)c1ccccc1
InChIInChI=1S/C20H19N3O2/c1-23-12-11-21-19(23)18(14-7-3-2-4-8-14)22-20(24)17-13-15-9-5-6-10-16(15)25-17/h2-12,17-18H,13H2,1H3,(H,22,24)
InChIKeyOMIZDALSDCVPPR-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.63
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 18103540) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID18103540
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[(1-methylimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCn1ccnc1C(NC(=O)C1Cc2ccccc2O1)c1ccccc1
InChIInChI=1S/C20H19N3O2/c1-23-12-11-21-19(23)18(14-7-3-2-4-8-14)22-20(24)17-13-15-9-5-6-10-16(15)25-17/h2-12,17-18H,13H2,1H3,(H,22,24)
InChIKeyOMIZDALSDCVPPR-UHFFFAOYSA-N
XLogP2.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 31503253
(3R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51927321
(2S)-5-chloro-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25351458
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide
CID 25341826
(1S)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohex-3-ene-1-carboxamide
CID 25341556
1-N,1-N-diethyl-4-N-[(1-methylimidazol-2-yl)-phenylmethyl]piperidine-1,4-dicarboxamide
CID 55718362
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea
CID 95908638
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 99940755
N-[(4-tert-butylphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 110429521
2-(3-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]cyclopropane-1-carboxamide
CID 49158229

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 18103540) is N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is Cn1ccnc1C(NC(=O)C1Cc2ccccc2O1)c1ccccc1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is OMIZDALSDCVPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-23-12-11-21-19(23)18(14-7-3-2-4-8-14)22-20(24)17-13-15-9-5-6-10-16(15)25-17/h2-12,17-18H,13H2,1H3,(H,22,24).
What are the key properties of N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18103540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).