N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-(1H-imidazol-2-yl)benzamide

C20H23N5O — CID 91833630

IUPACN-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-(1H-imidazol-2-yl)benzamide
SMILESCCc1nccn1CC1(CNC(=O)c2ccccc2-c2ncc[nH]2)CC1
InChIInChI=1S/C20H23N5O/c1-2-17-21-11-12-25(17)14-20(7-8-20)13-24-19(26)16-6-4-3-5-15(16)18-22-9-10-23-18/h3-6,9-12H,2,7-8,13-14H2,1H3,(H,22,23)(H,24,26)
InChIKeyPZMGAKFGKPJAGQ-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.05
Rot. Bonds7

About N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-(1H-imidazol-2-yl)benzamide

N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-(1H-imidazol-2-yl)benzamide (PubChem CID 91833630) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-(1H-imidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-(1H-imidazol-2-yl)benzamide
PubChem CID91833630
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-(1H-imidazol-2-yl)benzamide
SMILESCCc1nccn1CC1(CNC(=O)c2ccccc2-c2ncc[nH]2)CC1
InChIInChI=1S/C20H23N5O/c1-2-17-21-11-12-25(17)14-20(7-8-20)13-24-19(26)16-6-4-3-5-15(16)18-22-9-10-23-18/h3-6,9-12H,2,7-8,13-14H2,1H3,(H,22,23)(H,24,26)
InChIKeyPZMGAKFGKPJAGQ-UHFFFAOYSA-N
XLogP3.05
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 118780248
(2S)-2-(benzimidazol-1-yl)-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]propanamide
CID 125157151
N-[2-(2-ethylimidazol-1-yl)ethyl]-2-(4-fluorophenyl)benzamide
CID 91785685
bis[2-(1H-imidazol-2-yl)phenyl]methanone
CID 57133504
2-(1H-imidazol-2-yl)-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
CID 74250803
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(1H-imidazol-2-yl)benzamide
CID 74242160
N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 58897016
3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1-propylpyrazole-4-carboxamide
CID 72885985
2-(1H-imidazol-2-yl)benzamide;hydrate
CID 140783933
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(1H-imidazol-2-yl)benzamide
CID 118795304
N-methyl-2-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyridine-3-carboxamide
CID 135110526
2-iodo-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103762311

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-(1H-imidazol-2-yl)benzamide?
The IUPAC name of N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-(1H-imidazol-2-yl)benzamide (CID 91833630) is N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-(1H-imidazol-2-yl)benzamide.
What is the SMILES notation for N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-(1H-imidazol-2-yl)benzamide?
The canonical SMILES for N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-(1H-imidazol-2-yl)benzamide is CCc1nccn1CC1(CNC(=O)c2ccccc2-c2ncc[nH]2)CC1.
What is the InChIKey of N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-(1H-imidazol-2-yl)benzamide?
The InChIKey is PZMGAKFGKPJAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-2-17-21-11-12-25(17)14-20(7-8-20)13-24-19(26)16-6-4-3-5-15(16)18-22-9-10-23-18/h3-6,9-12H,2,7-8,13-14H2,1H3,(H,22,23)(H,24,26).
What are the key properties of N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-(1H-imidazol-2-yl)benzamide?
N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-(1H-imidazol-2-yl)benzamide has a molecular weight of 349.44 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-(1H-imidazol-2-yl)benzamide is sourced from PubChem (CID 91833630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).