N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C20H19N3O2 — CID 51079368

IUPACN-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCc1cccc(Cn2ccnc2)c1)C1Cc2ccccc2O1
InChIInChI=1S/C20H19N3O2/c24-20(19-11-17-6-1-2-7-18(17)25-19)22-12-15-4-3-5-16(10-15)13-23-9-8-21-14-23/h1-10,14,19H,11-13H2,(H,22,24)
InChIKeyDAZKXXQKZQJQEF-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.55
Rot. Bonds5

About N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 51079368) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID51079368
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCc1cccc(Cn2ccnc2)c1)C1Cc2ccccc2O1
InChIInChI=1S/C20H19N3O2/c24-20(19-11-17-6-1-2-7-18(17)25-19)22-12-15-4-3-5-16(10-15)13-23-9-8-21-14-23/h1-10,14,19H,11-13H2,(H,22,24)
InChIKeyDAZKXXQKZQJQEF-UHFFFAOYSA-N
XLogP2.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 43918273
N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43589376
(2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9079755
N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42929631
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 55636536
trans-(1S,2S)-2-(4-fluorophenyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 94144410
(4R)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 94144419
N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 112522518
N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 16649113
6-bromo-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 75395653
N-[[4-(carbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42936919
1-[(2-fluorophenyl)methyl]-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]urea
CID 38273983

Frequently Asked Questions

What is the IUPAC name of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 51079368) is N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCc1cccc(Cn2ccnc2)c1)C1Cc2ccccc2O1.
What is the InChIKey of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is DAZKXXQKZQJQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(19-11-17-6-1-2-7-18(17)25-19)22-12-15-4-3-5-16(10-15)13-23-9-8-21-14-23/h1-10,14,19H,11-13H2,(H,22,24).
What are the key properties of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51079368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).