7-chloro-1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-2-amine

C14H21ClN4 — CID 43661446

IUPAC7-chloro-1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-2-amine
SMILESCN(C)CC(C)(C)Cn1c(N)nc2cccc(Cl)c21
InChIInChI=1S/C14H21ClN4/c1-14(2,8-18(3)4)9-19-12-10(15)6-5-7-11(12)17-13(19)16/h5-7H,8-9H2,1-4H3,(H2,16,17)
InChIKeyQTWDEVQQMRHUTG-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.86
Rot. Bonds4

About 7-chloro-1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-2-amine

7-chloro-1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-2-amine (PubChem CID 43661446) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is 7-chloro-1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-2-amine.

Molecular Properties

Compound Name7-chloro-1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-2-amine
PubChem CID43661446
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC Name7-chloro-1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-2-amine
SMILESCN(C)CC(C)(C)Cn1c(N)nc2cccc(Cl)c21
InChIInChI=1S/C14H21ClN4/c1-14(2,8-18(3)4)9-19-12-10(15)6-5-7-11(12)17-13(19)16/h5-7H,8-9H2,1-4H3,(H2,16,17)
InChIKeyQTWDEVQQMRHUTG-UHFFFAOYSA-N
XLogP2.86
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-2-amine?
The IUPAC name of 7-chloro-1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-2-amine (CID 43661446) is 7-chloro-1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-2-amine.
What is the SMILES notation for 7-chloro-1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-2-amine?
The canonical SMILES for 7-chloro-1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-2-amine is CN(C)CC(C)(C)Cn1c(N)nc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-2-amine?
The InChIKey is QTWDEVQQMRHUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4/c1-14(2,8-18(3)4)9-19-12-10(15)6-5-7-11(12)17-13(19)16/h5-7H,8-9H2,1-4H3,(H2,16,17).
What are the key properties of 7-chloro-1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-2-amine?
7-chloro-1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-2-amine has a molecular weight of 280.80 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-2-amine is sourced from PubChem (CID 43661446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).