N-chloro-1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine

C9H10Cl2N4 — CID 162345034

IUPACN-chloro-1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
SMILESClNC1=NCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C9H10Cl2N4/c10-8-2-1-7(5-13-8)6-15-4-3-12-9(15)14-11/h1-2,5H,3-4,6H2,(H,12,14)
InChIKeyAZZSVFQPQWRHJE-UHFFFAOYSA-N
MW245.11 g/mol
LogP1.65
Rot. Bonds2

About N-chloro-1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine

N-chloro-1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine (PubChem CID 162345034) has the molecular formula C9H10Cl2N4 and a molecular weight of 245.11 g/mol. Its IUPAC name is N-chloro-1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-chloro-1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
PubChem CID162345034
Molecular FormulaC9H10Cl2N4
Molecular Weight245.11 g/mol
Exact Mass244.03
IUPAC NameN-chloro-1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
SMILESClNC1=NCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C9H10Cl2N4/c10-8-2-1-7(5-13-8)6-15-4-3-12-9(15)14-11/h1-2,5H,3-4,6H2,(H,12,14)
InChIKeyAZZSVFQPQWRHJE-UHFFFAOYSA-N
XLogP1.65
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide
CID 12056537
N-[1-[(6-chloro-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]methanesulfonamide
CID 12056540
1-[(6-chloro-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 10176894
1-[(6-chloro-3-pyridinyl)methyl]imidazolidine-2,4-dione
CID 122226815
1-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]-1-nitropentan-2-one
CID 54295305
1,7-bis[(6-chloro-3-pyridinyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102314847
[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 60582294
[1-[(6-chloro-3-pyridinyl)methyl]-3-methylimidazolidin-2-ylidene]hydrazine
CID 89371026
N-[1-[(4-chlorophenyl)methyl]-4,5-dihydroimidazol-2-yl]ethanesulfonamide
CID 134093433
2-chloro-5-[[2-[(E)-1-nitro-2-thiophen-2-ylethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine
CID 59590450
N-[(E)-[[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]-(trifluoromethylsulfonyl)methylidene]amino]-2,6-dimethylaniline
CID 123284899
2-chloro-5-(1,2,4-triazol-4-ylmethyl)pyridine
CID 178122205

Frequently Asked Questions

What is the IUPAC name of N-chloro-1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-chloro-1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine (CID 162345034) is N-chloro-1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-chloro-1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-chloro-1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine is ClNC1=NCCN1Cc1ccc(Cl)nc1.
What is the InChIKey of N-chloro-1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is AZZSVFQPQWRHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N4/c10-8-2-1-7(5-13-8)6-15-4-3-12-9(15)14-11/h1-2,5H,3-4,6H2,(H,12,14).
What are the key properties of N-chloro-1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine?
N-chloro-1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 245.11 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 162345034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).