4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methoxybenzonitrile

C11H12N4O — CID 114400407

IUPAC4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1NC1=NCCN1
InChIInChI=1S/C11H12N4O/c1-16-10-6-8(7-12)2-3-9(10)15-11-13-4-5-14-11/h2-3,6H,4-5H2,1H3,(H2,13,14,15)
InChIKeyCZIIJDLWRBHWMV-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.94
Rot. Bonds2

About 4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methoxybenzonitrile

4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methoxybenzonitrile (PubChem CID 114400407) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methoxybenzonitrile
PubChem CID114400407
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1NC1=NCCN1
InChIInChI=1S/C11H12N4O/c1-16-10-6-8(7-12)2-3-9(10)15-11-13-4-5-14-11/h2-3,6H,4-5H2,1H3,(H2,13,14,15)
InChIKeyCZIIJDLWRBHWMV-UHFFFAOYSA-N
XLogP0.94
TPSA69.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;3-methoxy-4-(methylamino)benzonitrile
CID 176701430
4-hydrazinyl-3-methoxybenzonitrile
CID 53404328
4-[(2-amino-3-pyridinyl)amino]-3-methoxybenzonitrile
CID 104847940
3-methoxy-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]benzonitrile
CID 150120658
4-(4-aminoanilino)-3-methoxybenzonitrile
CID 104847876
4-(4-amino-2,6-difluoroanilino)-3-methoxybenzonitrile
CID 104847878
4-hydrazinyl-3-methoxybenzonitrile;hydrochloride
CID 53404327
4-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxybenzonitrile
CID 104847934
4-(cyclobutylmethylamino)-3-methoxybenzonitrile
CID 104843580
4-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methoxybenzonitrile
CID 104850224
4-[(3-amino-6-chloro-2-pyridinyl)amino]-3-methoxybenzonitrile
CID 104847887
4-(3,4-diaminoanilino)-3-methoxybenzonitrile
CID 106751142

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methoxybenzonitrile?
The IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methoxybenzonitrile (CID 114400407) is 4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methoxybenzonitrile.
What is the SMILES notation for 4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methoxybenzonitrile?
The canonical SMILES for 4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methoxybenzonitrile is COc1cc(C#N)ccc1NC1=NCCN1.
What is the InChIKey of 4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methoxybenzonitrile?
The InChIKey is CZIIJDLWRBHWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-16-10-6-8(7-12)2-3-9(10)15-11-13-4-5-14-11/h2-3,6H,4-5H2,1H3,(H2,13,14,15).
What are the key properties of 4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methoxybenzonitrile?
4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methoxybenzonitrile has a molecular weight of 216.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methoxybenzonitrile is sourced from PubChem (CID 114400407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).