5,6-dichloro-1-ethyl-N-propan-2-ylbenzimidazol-2-amine

C12H15Cl2N3 — CID 137411124

IUPAC5,6-dichloro-1-ethyl-N-propan-2-ylbenzimidazol-2-amine
SMILESCCn1c(NC(C)C)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C12H15Cl2N3/c1-4-17-11-6-9(14)8(13)5-10(11)16-12(17)15-7(2)3/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyDJZPVJVKMBIKFS-UHFFFAOYSA-N
MW272.18 g/mol
LogP4.18
Rot. Bonds3

About 5,6-dichloro-1-ethyl-N-propan-2-ylbenzimidazol-2-amine

5,6-dichloro-1-ethyl-N-propan-2-ylbenzimidazol-2-amine (PubChem CID 137411124) has the molecular formula C12H15Cl2N3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 5,6-dichloro-1-ethyl-N-propan-2-ylbenzimidazol-2-amine.

Molecular Properties

Compound Name5,6-dichloro-1-ethyl-N-propan-2-ylbenzimidazol-2-amine
PubChem CID137411124
Molecular FormulaC12H15Cl2N3
Molecular Weight272.18 g/mol
Exact Mass271.06
IUPAC Name5,6-dichloro-1-ethyl-N-propan-2-ylbenzimidazol-2-amine
SMILESCCn1c(NC(C)C)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C12H15Cl2N3/c1-4-17-11-6-9(14)8(13)5-10(11)16-12(17)15-7(2)3/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyDJZPVJVKMBIKFS-UHFFFAOYSA-N
XLogP4.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-[5,6-dichloro-2-(propan-2-ylamino)benzimidazol-1-yl]oxolane-3,4-diol
CID 121432233
(1R,2S,4R)-4-[5,6-dichloro-2-(propan-2-ylamino)benzimidazol-1-yl]cyclohexane-1,2-diol
CID 70145486
(2S,3S,4S,5R)-2-[5,6-dichloro-2-(propan-2-ylamino)benzimidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 126539965
(2R,3R,4S,5S)-2-(chloromethyl)-5-[5,6-dichloro-2-(propan-2-ylamino)benzimidazol-1-yl]oxolane-3,4-diol
CID 70022413
(2S,3S,5R)-2-[5,6-dichloro-2-(propan-2-ylamino)benzimidazol-1-yl]-5-(hydroxymethyl)oxolan-3-ol
CID 57068586
(2S,3S,4R,5S)-2-[5,6-dichloro-2-(propan-2-ylamino)benzimidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol;methanol
CID 57413687
5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole
CID 91737844
(2R,3R,4S,5R)-5-[5,6-dichloro-2-(propan-2-ylamino)benzimidazol-1-yl]-4-fluoro-2-methyloxolan-3-ol
CID 70179492
3-(5,6-dichloro-2-methylbenzimidazol-1-yl)-2-methylpropanenitrile
CID 82145962
3-(5,6-dichloro-2-ethylbenzimidazol-1-yl)-2-methylpropanenitrile
CID 82145975
5,6-dichloro-2-(1-chloroethyl)-1-(2-methylsulfinylethyl)benzimidazole
CID 113480263
4-[(5,6-dichloro-2-propan-2-ylbenzimidazol-1-yl)methyl]benzonitrile
CID 39158131

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1-ethyl-N-propan-2-ylbenzimidazol-2-amine?
The IUPAC name of 5,6-dichloro-1-ethyl-N-propan-2-ylbenzimidazol-2-amine (CID 137411124) is 5,6-dichloro-1-ethyl-N-propan-2-ylbenzimidazol-2-amine.
What is the SMILES notation for 5,6-dichloro-1-ethyl-N-propan-2-ylbenzimidazol-2-amine?
The canonical SMILES for 5,6-dichloro-1-ethyl-N-propan-2-ylbenzimidazol-2-amine is CCn1c(NC(C)C)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 5,6-dichloro-1-ethyl-N-propan-2-ylbenzimidazol-2-amine?
The InChIKey is DJZPVJVKMBIKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3/c1-4-17-11-6-9(14)8(13)5-10(11)16-12(17)15-7(2)3/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of 5,6-dichloro-1-ethyl-N-propan-2-ylbenzimidazol-2-amine?
5,6-dichloro-1-ethyl-N-propan-2-ylbenzimidazol-2-amine has a molecular weight of 272.18 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1-ethyl-N-propan-2-ylbenzimidazol-2-amine is sourced from PubChem (CID 137411124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).