5-[imidazol-1-yl(phenyl)methyl]-2,3-dihydro-1H-benzimidazole

C17H16N4 — CID 174253114

IUPAC5-[imidazol-1-yl(phenyl)methyl]-2,3-dihydro-1H-benzimidazole
SMILESc1ccc(C(c2ccc3c(c2)NCN3)n2ccnc2)cc1
InChIInChI=1S/C17H16N4/c1-2-4-13(5-3-1)17(21-9-8-18-12-21)14-6-7-15-16(10-14)20-11-19-15/h1-10,12,17,19-20H,11H2
InChIKeyQVLJLSBYLJWQIK-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.32
Rot. Bonds3

About 5-[imidazol-1-yl(phenyl)methyl]-2,3-dihydro-1H-benzimidazole

5-[imidazol-1-yl(phenyl)methyl]-2,3-dihydro-1H-benzimidazole (PubChem CID 174253114) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-[imidazol-1-yl(phenyl)methyl]-2,3-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name5-[imidazol-1-yl(phenyl)methyl]-2,3-dihydro-1H-benzimidazole
PubChem CID174253114
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name5-[imidazol-1-yl(phenyl)methyl]-2,3-dihydro-1H-benzimidazole
SMILESc1ccc(C(c2ccc3c(c2)NCN3)n2ccnc2)cc1
InChIInChI=1S/C17H16N4/c1-2-4-13(5-3-1)17(21-9-8-18-12-21)14-6-7-15-16(10-14)20-11-19-15/h1-10,12,17,19-20H,11H2
InChIKeyQVLJLSBYLJWQIK-UHFFFAOYSA-N
XLogP3.32
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzhydrylimidazole;hydrobromide
CID 174865219
1-[4-[imidazol-1-yl(phenyl)methyl]phenyl]imidazole
CID 14594096
6-[imidazol-1-yl(phenyl)methyl]-2,3-dimethylquinoxaline
CID 19875835
6-[imidazol-1-yl(phenyl)methyl]-3H-1,3-benzothiazol-2-one
CID 58828708
7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 69019508
6-[imidazol-1-yl(phenyl)methyl]quinoline sulfate
CID 19967120
1-ethyl-6-[imidazol-1-yl(phenyl)methyl]quinoxalin-2-one
CID 141114210
6-[imidazol-1-yl-(3-methylphenyl)methyl]-1H-benzimidazole
CID 14518485
1-[(R)-(4-chlorophenyl)-(4-pyrrol-1-ylphenyl)methyl]imidazole
CID 57395780
1-[(5-chloro-1-benzofuran-2-yl)-phenylmethyl]imidazole
CID 21277774
1-[(2-chlorophenyl)-(5,6,7,8-tetrachloro-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imidazole
CID 57320114
[imidazol-1-yl(phenyl)methyl]hydrazine
CID 102225378

Frequently Asked Questions

What is the IUPAC name of 5-[imidazol-1-yl(phenyl)methyl]-2,3-dihydro-1H-benzimidazole?
The IUPAC name of 5-[imidazol-1-yl(phenyl)methyl]-2,3-dihydro-1H-benzimidazole (CID 174253114) is 5-[imidazol-1-yl(phenyl)methyl]-2,3-dihydro-1H-benzimidazole.
What is the SMILES notation for 5-[imidazol-1-yl(phenyl)methyl]-2,3-dihydro-1H-benzimidazole?
The canonical SMILES for 5-[imidazol-1-yl(phenyl)methyl]-2,3-dihydro-1H-benzimidazole is c1ccc(C(c2ccc3c(c2)NCN3)n2ccnc2)cc1.
What is the InChIKey of 5-[imidazol-1-yl(phenyl)methyl]-2,3-dihydro-1H-benzimidazole?
The InChIKey is QVLJLSBYLJWQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-2-4-13(5-3-1)17(21-9-8-18-12-21)14-6-7-15-16(10-14)20-11-19-15/h1-10,12,17,19-20H,11H2.
What are the key properties of 5-[imidazol-1-yl(phenyl)methyl]-2,3-dihydro-1H-benzimidazole?
5-[imidazol-1-yl(phenyl)methyl]-2,3-dihydro-1H-benzimidazole has a molecular weight of 276.34 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[imidazol-1-yl(phenyl)methyl]-2,3-dihydro-1H-benzimidazole is sourced from PubChem (CID 174253114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).