N-[(5-chloro-2-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine

C10H13ClN4 — CID 120971991

IUPACN-[(5-chloro-2-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1CN=C(NCc2ccc(Cl)cn2)N1
InChIInChI=1S/C10H13ClN4/c1-7-4-13-10(15-7)14-6-9-3-2-8(11)5-12-9/h2-3,5,7H,4,6H2,1H3,(H2,13,14,15)
InChIKeyQYQCKCJYUCJBAR-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.17
Rot. Bonds2

About N-[(5-chloro-2-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine

N-[(5-chloro-2-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 120971991) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is N-[(5-chloro-2-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID120971991
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC NameN-[(5-chloro-2-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1CN=C(NCc2ccc(Cl)cn2)N1
InChIInChI=1S/C10H13ClN4/c1-7-4-13-10(15-7)14-6-9-3-2-8(11)5-12-9/h2-3,5,7H,4,6H2,1H3,(H2,13,14,15)
InChIKeyQYQCKCJYUCJBAR-UHFFFAOYSA-N
XLogP1.17
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(5-chloro-2-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine (CID 120971991) is N-[(5-chloro-2-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(5-chloro-2-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(5-chloro-2-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine is CC1CN=C(NCc2ccc(Cl)cn2)N1.
What is the InChIKey of N-[(5-chloro-2-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is QYQCKCJYUCJBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c1-7-4-13-10(15-7)14-6-9-3-2-8(11)5-12-9/h2-3,5,7H,4,6H2,1H3,(H2,13,14,15).
What are the key properties of N-[(5-chloro-2-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
N-[(5-chloro-2-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 224.69 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 120971991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).