6-chloro-1-[2-[methyl(propan-2-yl)amino]ethyl]benzimidazol-2-amine

C13H19ClN4 — CID 115470600

IUPAC6-chloro-1-[2-[methyl(propan-2-yl)amino]ethyl]benzimidazol-2-amine
SMILESCC(C)N(C)CCn1c(N)nc2ccc(Cl)cc21
InChIInChI=1S/C13H19ClN4/c1-9(2)17(3)6-7-18-12-8-10(14)4-5-11(12)16-13(18)15/h4-5,8-9H,6-7H2,1-3H3,(H2,15,16)
InChIKeyPRQXEJZEDAVBGT-UHFFFAOYSA-N
MW266.78 g/mol
LogP2.61
Rot. Bonds4

About 6-chloro-1-[2-[methyl(propan-2-yl)amino]ethyl]benzimidazol-2-amine

6-chloro-1-[2-[methyl(propan-2-yl)amino]ethyl]benzimidazol-2-amine (PubChem CID 115470600) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is 6-chloro-1-[2-[methyl(propan-2-yl)amino]ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1-[2-[methyl(propan-2-yl)amino]ethyl]benzimidazol-2-amine
PubChem CID115470600
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC Name6-chloro-1-[2-[methyl(propan-2-yl)amino]ethyl]benzimidazol-2-amine
SMILESCC(C)N(C)CCn1c(N)nc2ccc(Cl)cc21
InChIInChI=1S/C13H19ClN4/c1-9(2)17(3)6-7-18-12-8-10(14)4-5-11(12)16-13(18)15/h4-5,8-9H,6-7H2,1-3H3,(H2,15,16)
InChIKeyPRQXEJZEDAVBGT-UHFFFAOYSA-N
XLogP2.61
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 115470703
5-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]benzimidazol-2-amine
CID 106035839
6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine
CID 115470592
1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol
CID 127053654
6-chloro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 115470557
2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid
CID 84735746
6-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106406239
1-[2-[methyl(propan-2-yl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62640082
6-chloro-1-(2-ethylhexyl)benzimidazol-2-amine
CID 107816969
6-chloro-1-[2-(1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine
CID 113316213
6-chloro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
CID 115470569
6-chloro-1-[(5-chlorothiophen-2-yl)methyl]benzimidazol-2-amine
CID 115470651

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[2-[methyl(propan-2-yl)amino]ethyl]benzimidazol-2-amine?
The IUPAC name of 6-chloro-1-[2-[methyl(propan-2-yl)amino]ethyl]benzimidazol-2-amine (CID 115470600) is 6-chloro-1-[2-[methyl(propan-2-yl)amino]ethyl]benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1-[2-[methyl(propan-2-yl)amino]ethyl]benzimidazol-2-amine?
The canonical SMILES for 6-chloro-1-[2-[methyl(propan-2-yl)amino]ethyl]benzimidazol-2-amine is CC(C)N(C)CCn1c(N)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-[2-[methyl(propan-2-yl)amino]ethyl]benzimidazol-2-amine?
The InChIKey is PRQXEJZEDAVBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4/c1-9(2)17(3)6-7-18-12-8-10(14)4-5-11(12)16-13(18)15/h4-5,8-9H,6-7H2,1-3H3,(H2,15,16).
What are the key properties of 6-chloro-1-[2-[methyl(propan-2-yl)amino]ethyl]benzimidazol-2-amine?
6-chloro-1-[2-[methyl(propan-2-yl)amino]ethyl]benzimidazol-2-amine has a molecular weight of 266.78 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[2-[methyl(propan-2-yl)amino]ethyl]benzimidazol-2-amine is sourced from PubChem (CID 115470600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).