7-chloro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine

C12H12ClN5 — CID 63295616

IUPAC7-chloro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
SMILESCn1ccnc1Cn1c(N)nc2cccc(Cl)c21
InChIInChI=1S/C12H12ClN5/c1-17-6-5-15-10(17)7-18-11-8(13)3-2-4-9(11)16-12(18)14/h2-6H,7H2,1H3,(H2,14,16)
InChIKeyXXLBVTKWQZPZAS-UHFFFAOYSA-N
MW261.72 g/mol
LogP2.05
Rot. Bonds2

About 7-chloro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine

7-chloro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine (PubChem CID 63295616) has the molecular formula C12H12ClN5 and a molecular weight of 261.72 g/mol. Its IUPAC name is 7-chloro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name7-chloro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
PubChem CID63295616
Molecular FormulaC12H12ClN5
Molecular Weight261.72 g/mol
Exact Mass261.08
IUPAC Name7-chloro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
SMILESCn1ccnc1Cn1c(N)nc2cccc(Cl)c21
InChIInChI=1S/C12H12ClN5/c1-17-6-5-15-10(17)7-18-11-8(13)3-2-4-9(11)16-12(18)14/h2-6H,7H2,1H3,(H2,14,16)
InChIKeyXXLBVTKWQZPZAS-UHFFFAOYSA-N
XLogP2.05
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 7-chloro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine (CID 63295616) is 7-chloro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 7-chloro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 7-chloro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine is Cn1ccnc1Cn1c(N)nc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine?
The InChIKey is XXLBVTKWQZPZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5/c1-17-6-5-15-10(17)7-18-11-8(13)3-2-4-9(11)16-12(18)14/h2-6H,7H2,1H3,(H2,14,16).
What are the key properties of 7-chloro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine?
7-chloro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine has a molecular weight of 261.72 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 63295616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).