5-(4-chloro-2-methylphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine

C14H18ClN3 — CID 114076004

IUPAC5-(4-chloro-2-methylphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
SMILESCc1cc(Cl)ccc1C1CN=C(N)N1CC1CC1
InChIInChI=1S/C14H18ClN3/c1-9-6-11(15)4-5-12(9)13-7-17-14(16)18(13)8-10-2-3-10/h4-6,10,13H,2-3,7-8H2,1H3,(H2,16,17)
InChIKeyZINVBJNLSDRYHX-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.73
Rot. Bonds3

About 5-(4-chloro-2-methylphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine

5-(4-chloro-2-methylphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 114076004) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 5-(4-chloro-2-methylphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(4-chloro-2-methylphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
PubChem CID114076004
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name5-(4-chloro-2-methylphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
SMILESCc1cc(Cl)ccc1C1CN=C(N)N1CC1CC1
InChIInChI=1S/C14H18ClN3/c1-9-6-11(15)4-5-12(9)13-7-17-14(16)18(13)8-10-2-3-10/h4-6,10,13H,2-3,7-8H2,1H3,(H2,16,17)
InChIKeyZINVBJNLSDRYHX-UHFFFAOYSA-N
XLogP2.73
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-methylphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(4-chloro-2-methylphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine (CID 114076004) is 5-(4-chloro-2-methylphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(4-chloro-2-methylphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(4-chloro-2-methylphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine is Cc1cc(Cl)ccc1C1CN=C(N)N1CC1CC1.
What is the InChIKey of 5-(4-chloro-2-methylphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is ZINVBJNLSDRYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-9-6-11(15)4-5-12(9)13-7-17-14(16)18(13)8-10-2-3-10/h4-6,10,13H,2-3,7-8H2,1H3,(H2,16,17).
What are the key properties of 5-(4-chloro-2-methylphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine?
5-(4-chloro-2-methylphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 263.77 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-methylphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 114076004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).