6-chloro-2-(4-methylpiperazin-1-yl)-3-propan-2-ylbenzimidazol-5-amine

C15H22ClN5 — CID 3073291

IUPAC6-chloro-2-(4-methylpiperazin-1-yl)-3-propan-2-ylbenzimidazol-5-amine
SMILESCC(C)n1c(N2CCN(C)CC2)nc2cc(Cl)c(N)cc21
InChIInChI=1S/C15H22ClN5/c1-10(2)21-14-9-12(17)11(16)8-13(14)18-15(21)20-6-4-19(3)5-7-20/h8-10H,4-7,17H2,1-3H3
InChIKeyQEANRFDFBNUCJR-UHFFFAOYSA-N
MW307.83 g/mol
LogP2.60
Rot. Bonds2

About 6-chloro-2-(4-methylpiperazin-1-yl)-3-propan-2-ylbenzimidazol-5-amine

6-chloro-2-(4-methylpiperazin-1-yl)-3-propan-2-ylbenzimidazol-5-amine (PubChem CID 3073291) has the molecular formula C15H22ClN5 and a molecular weight of 307.83 g/mol. Its IUPAC name is 6-chloro-2-(4-methylpiperazin-1-yl)-3-propan-2-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name6-chloro-2-(4-methylpiperazin-1-yl)-3-propan-2-ylbenzimidazol-5-amine
PubChem CID3073291
Molecular FormulaC15H22ClN5
Molecular Weight307.83 g/mol
Exact Mass307.16
IUPAC Name6-chloro-2-(4-methylpiperazin-1-yl)-3-propan-2-ylbenzimidazol-5-amine
SMILESCC(C)n1c(N2CCN(C)CC2)nc2cc(Cl)c(N)cc21
InChIInChI=1S/C15H22ClN5/c1-10(2)21-14-9-12(17)11(16)8-13(14)18-15(21)20-6-4-19(3)5-7-20/h8-10H,4-7,17H2,1-3H3
InChIKeyQEANRFDFBNUCJR-UHFFFAOYSA-N
XLogP2.60
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)-3-propan-2-ylbenzimidazol-5-amine?
The IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)-3-propan-2-ylbenzimidazol-5-amine (CID 3073291) is 6-chloro-2-(4-methylpiperazin-1-yl)-3-propan-2-ylbenzimidazol-5-amine.
What is the SMILES notation for 6-chloro-2-(4-methylpiperazin-1-yl)-3-propan-2-ylbenzimidazol-5-amine?
The canonical SMILES for 6-chloro-2-(4-methylpiperazin-1-yl)-3-propan-2-ylbenzimidazol-5-amine is CC(C)n1c(N2CCN(C)CC2)nc2cc(Cl)c(N)cc21.
What is the InChIKey of 6-chloro-2-(4-methylpiperazin-1-yl)-3-propan-2-ylbenzimidazol-5-amine?
The InChIKey is QEANRFDFBNUCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN5/c1-10(2)21-14-9-12(17)11(16)8-13(14)18-15(21)20-6-4-19(3)5-7-20/h8-10H,4-7,17H2,1-3H3.
What are the key properties of 6-chloro-2-(4-methylpiperazin-1-yl)-3-propan-2-ylbenzimidazol-5-amine?
6-chloro-2-(4-methylpiperazin-1-yl)-3-propan-2-ylbenzimidazol-5-amine has a molecular weight of 307.83 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methylpiperazin-1-yl)-3-propan-2-ylbenzimidazol-5-amine is sourced from PubChem (CID 3073291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).