(2R)-2-imidazol-1-yl-N-[(1-phenylcyclopropyl)methyl]propanamide

C16H19N3O — CID 94117739

IUPAC(2R)-2-imidazol-1-yl-N-[(1-phenylcyclopropyl)methyl]propanamide
SMILESC[C@H](C(=O)NCC1(c2ccccc2)CC1)n1ccnc1
InChIInChI=1S/C16H19N3O/c1-13(19-10-9-17-12-19)15(20)18-11-16(7-8-16)14-5-3-2-4-6-14/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyPCPJBOAOMOLMPO-CYBMUJFWSA-N
MW269.35 g/mol
LogP2.29
Rot. Bonds5

About (2R)-2-imidazol-1-yl-N-[(1-phenylcyclopropyl)methyl]propanamide

(2R)-2-imidazol-1-yl-N-[(1-phenylcyclopropyl)methyl]propanamide (PubChem CID 94117739) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (2R)-2-imidazol-1-yl-N-[(1-phenylcyclopropyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-imidazol-1-yl-N-[(1-phenylcyclopropyl)methyl]propanamide
PubChem CID94117739
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(2R)-2-imidazol-1-yl-N-[(1-phenylcyclopropyl)methyl]propanamide
SMILESC[C@H](C(=O)NCC1(c2ccccc2)CC1)n1ccnc1
InChIInChI=1S/C16H19N3O/c1-13(19-10-9-17-12-19)15(20)18-11-16(7-8-16)14-5-3-2-4-6-14/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyPCPJBOAOMOLMPO-CYBMUJFWSA-N
XLogP2.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-imidazol-1-yl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide
CID 126431688
(2S)-2-imidazol-1-yl-N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]propanamide
CID 95618458
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 94183170
(2R,3S)-2-(carbamoylamino)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide
CID 94615950
2-methyl-N-[2-[[N'-methyl-N-[(1-phenylcyclopropyl)methyl]carbamimidoyl]amino]ethyl]propanamide
CID 111856360
N-[2-(2-bromophenyl)ethyl]-2-imidazol-1-ylpropanamide
CID 49052603
2-morpholin-4-yl-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110446352
2-imidazol-1-yl-1-phenylpropan-1-one
CID 13282605
1-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 111856666
(2S)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide
CID 755199
N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide;hydrochloride
CID 44828372
1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 112828675

Frequently Asked Questions

What is the IUPAC name of (2R)-2-imidazol-1-yl-N-[(1-phenylcyclopropyl)methyl]propanamide?
The IUPAC name of (2R)-2-imidazol-1-yl-N-[(1-phenylcyclopropyl)methyl]propanamide (CID 94117739) is (2R)-2-imidazol-1-yl-N-[(1-phenylcyclopropyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-imidazol-1-yl-N-[(1-phenylcyclopropyl)methyl]propanamide?
The canonical SMILES for (2R)-2-imidazol-1-yl-N-[(1-phenylcyclopropyl)methyl]propanamide is C[C@H](C(=O)NCC1(c2ccccc2)CC1)n1ccnc1.
What is the InChIKey of (2R)-2-imidazol-1-yl-N-[(1-phenylcyclopropyl)methyl]propanamide?
The InChIKey is PCPJBOAOMOLMPO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O/c1-13(19-10-9-17-12-19)15(20)18-11-16(7-8-16)14-5-3-2-4-6-14/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,18,20)/t13-/m1/s1.
What are the key properties of (2R)-2-imidazol-1-yl-N-[(1-phenylcyclopropyl)methyl]propanamide?
(2R)-2-imidazol-1-yl-N-[(1-phenylcyclopropyl)methyl]propanamide has a molecular weight of 269.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-imidazol-1-yl-N-[(1-phenylcyclopropyl)methyl]propanamide is sourced from PubChem (CID 94117739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).