N-benzyl-N-[3-(1H-imidazol-5-yl)propyl]formamide

C14H17N3O — CID 142002691

IUPACN-benzyl-N-[3-(1H-imidazol-5-yl)propyl]formamide
SMILESO=CN(CCCc1cnc[nH]1)Cc1ccccc1
InChIInChI=1S/C14H17N3O/c18-12-17(10-13-5-2-1-3-6-13)8-4-7-14-9-15-11-16-14/h1-3,5-6,9,11-12H,4,7-8,10H2,(H,15,16)
InChIKeyDIJYYRRDFUJLHR-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.00
Rot. Bonds7

About N-benzyl-N-[3-(1H-imidazol-5-yl)propyl]formamide

N-benzyl-N-[3-(1H-imidazol-5-yl)propyl]formamide (PubChem CID 142002691) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-benzyl-N-[3-(1H-imidazol-5-yl)propyl]formamide.

Molecular Properties

Compound NameN-benzyl-N-[3-(1H-imidazol-5-yl)propyl]formamide
PubChem CID142002691
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-benzyl-N-[3-(1H-imidazol-5-yl)propyl]formamide
SMILESO=CN(CCCc1cnc[nH]1)Cc1ccccc1
InChIInChI=1S/C14H17N3O/c18-12-17(10-13-5-2-1-3-6-13)8-4-7-14-9-15-11-16-14/h1-3,5-6,9,11-12H,4,7-8,10H2,(H,15,16)
InChIKeyDIJYYRRDFUJLHR-UHFFFAOYSA-N
XLogP2.00
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(3-phenylpropyl)-1H-imidazole
CID 10035345
5-[3-(3-phenylpropylsulfinyl)propyl]-1H-imidazole
CID 10850088
N'-benzyl-N-(1H-imidazol-5-ylmethyl)-N'-methylpropane-1,3-diamine
CID 62761727
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597
N-benzyl-N-[8-(dimethylamino)octyl]formamide
CID 173398538
1-[3-(1H-imidazol-5-yl)propoxy]-1-(3-phenylpropyl)urea
CID 23219010
N'-benzyl-N'-(1H-imidazol-5-ylmethyl)propane-1,3-diamine
CID 107367343
9H-fluoren-9-yl-[3-(1H-imidazol-5-yl)propyl]carbamic acid
CID 70248820
N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine
CID 10377137
N-benzyl-2-chloro-N-(1H-imidazol-5-ylmethyl)ethanamine;dihydrochloride
CID 22335194
N-(1H-imidazol-5-ylmethyl)-N-phenylaniline
CID 59728125
N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-(3-phenylpropyl)formamide
CID 18395370

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-(1H-imidazol-5-yl)propyl]formamide?
The IUPAC name of N-benzyl-N-[3-(1H-imidazol-5-yl)propyl]formamide (CID 142002691) is N-benzyl-N-[3-(1H-imidazol-5-yl)propyl]formamide.
What is the SMILES notation for N-benzyl-N-[3-(1H-imidazol-5-yl)propyl]formamide?
The canonical SMILES for N-benzyl-N-[3-(1H-imidazol-5-yl)propyl]formamide is O=CN(CCCc1cnc[nH]1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[3-(1H-imidazol-5-yl)propyl]formamide?
The InChIKey is DIJYYRRDFUJLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-12-17(10-13-5-2-1-3-6-13)8-4-7-14-9-15-11-16-14/h1-3,5-6,9,11-12H,4,7-8,10H2,(H,15,16).
What are the key properties of N-benzyl-N-[3-(1H-imidazol-5-yl)propyl]formamide?
N-benzyl-N-[3-(1H-imidazol-5-yl)propyl]formamide has a molecular weight of 243.31 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-(1H-imidazol-5-yl)propyl]formamide is sourced from PubChem (CID 142002691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).