5-(3-phenylpropyl)-1H-imidazole

C12H14N2 — CID 10035345

IUPAC5-(3-phenylpropyl)-1H-imidazole
SMILESc1ccc(CCCc2cnc[nH]2)cc1
InChIInChI=1S/C12H14N2/c1-2-5-11(6-3-1)7-4-8-12-9-13-10-14-12/h1-3,5-6,9-10H,4,7-8H2,(H,13,14)
InChIKeyUPZKEEXUCMLWIT-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.59
Rot. Bonds4

About 5-(3-phenylpropyl)-1H-imidazole

5-(3-phenylpropyl)-1H-imidazole (PubChem CID 10035345) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 5-(3-phenylpropyl)-1H-imidazole.

Molecular Properties

Compound Name5-(3-phenylpropyl)-1H-imidazole
PubChem CID10035345
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name5-(3-phenylpropyl)-1H-imidazole
SMILESc1ccc(CCCc2cnc[nH]2)cc1
InChIInChI=1S/C12H14N2/c1-2-5-11(6-3-1)7-4-8-12-9-13-10-14-12/h1-3,5-6,9-10H,4,7-8H2,(H,13,14)
InChIKeyUPZKEEXUCMLWIT-UHFFFAOYSA-N
XLogP2.59
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[3-(3-phenylpropylsulfinyl)propyl]-1H-imidazole
CID 10850088
N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine
CID 10377137
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597
3-(1H-imidazol-5-yl)propyl N'-(2-phenylethyl)carbamimidothioate
CID 10085528
5-[3-(2,6-dimethylphenyl)propyl]-1H-imidazole
CID 10420802
N-benzyl-N-[3-(1H-imidazol-5-yl)propyl]formamide
CID 142002691
1-[3-(1H-imidazol-5-yl)propoxy]-1-(3-phenylpropyl)urea
CID 23219010
1-(1H-imidazol-5-ylmethyl)-4-(3-phenylpropyl)-1,4-diazepane
CID 56917910
5-[3-(2-phenoxyphenoxy)propyl]-1H-imidazole
CID 67692655
4-(1H-imidazol-5-yl)butan-1-amine
CID 13499360
1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenylethanone
CID 10567715
2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide
CID 156533932

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylpropyl)-1H-imidazole?
The IUPAC name of 5-(3-phenylpropyl)-1H-imidazole (CID 10035345) is 5-(3-phenylpropyl)-1H-imidazole.
What is the SMILES notation for 5-(3-phenylpropyl)-1H-imidazole?
The canonical SMILES for 5-(3-phenylpropyl)-1H-imidazole is c1ccc(CCCc2cnc[nH]2)cc1.
What is the InChIKey of 5-(3-phenylpropyl)-1H-imidazole?
The InChIKey is UPZKEEXUCMLWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-5-11(6-3-1)7-4-8-12-9-13-10-14-12/h1-3,5-6,9-10H,4,7-8H2,(H,13,14).
What are the key properties of 5-(3-phenylpropyl)-1H-imidazole?
5-(3-phenylpropyl)-1H-imidazole has a molecular weight of 186.26 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpropyl)-1H-imidazole is sourced from PubChem (CID 10035345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).