(1-benzylimidazol-4-yl)methanamine

C11H13N3 — CID 82281097

IUPAC(1-benzylimidazol-4-yl)methanamine
SMILESNCc1cn(Cc2ccccc2)cn1
InChIInChI=1S/C11H13N3/c12-6-11-8-14(9-13-11)7-10-4-2-1-3-5-10/h1-5,8-9H,6-7,12H2
InChIKeyZVBFNQKWCMNZCV-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.39
Rot. Bonds3

About (1-benzylimidazol-4-yl)methanamine

(1-benzylimidazol-4-yl)methanamine (PubChem CID 82281097) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is (1-benzylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-benzylimidazol-4-yl)methanamine
PubChem CID82281097
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name(1-benzylimidazol-4-yl)methanamine
SMILESNCc1cn(Cc2ccccc2)cn1
InChIInChI=1S/C11H13N3/c12-6-11-8-14(9-13-11)7-10-4-2-1-3-5-10/h1-5,8-9H,6-7,12H2
InChIKeyZVBFNQKWCMNZCV-UHFFFAOYSA-N
XLogP1.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzylimidazol-4-yl)methanethiol
CID 144964531
[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine
CID 82468655
[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine;hydrochloride
CID 131637694
2-(1-benzylimidazol-4-yl)acetaldehyde
CID 83880657
4-benzyl-1-[(4-chlorophenyl)methyl]imidazole
CID 19352208
1-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)imidazole
CID 67751239
[1-[(2-fluorophenyl)methyl]imidazol-4-yl]methanamine
CID 82282978
(Z)-5-amino-2-[(1-benzylimidazol-4-yl)methyl]pent-2-enoic acid
CID 89448322
N-[2-(1-benzylimidazol-4-yl)ethyl]propan-1-amine
CID 79985350
[(2S)-3-(1-benzylimidazol-4-yl)-1-methoxy-1-oxopropan-2-yl]azanium
CID 7019739
4-[(1-benzylimidazol-4-yl)methyl]heptane-3,5-dione
CID 67276883
[1-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methanamine
CID 106718039

Frequently Asked Questions

What is the IUPAC name of (1-benzylimidazol-4-yl)methanamine?
The IUPAC name of (1-benzylimidazol-4-yl)methanamine (CID 82281097) is (1-benzylimidazol-4-yl)methanamine.
What is the SMILES notation for (1-benzylimidazol-4-yl)methanamine?
The canonical SMILES for (1-benzylimidazol-4-yl)methanamine is NCc1cn(Cc2ccccc2)cn1.
What is the InChIKey of (1-benzylimidazol-4-yl)methanamine?
The InChIKey is ZVBFNQKWCMNZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-6-11-8-14(9-13-11)7-10-4-2-1-3-5-10/h1-5,8-9H,6-7,12H2.
What are the key properties of (1-benzylimidazol-4-yl)methanamine?
(1-benzylimidazol-4-yl)methanamine has a molecular weight of 187.25 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylimidazol-4-yl)methanamine is sourced from PubChem (CID 82281097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).