7-chloro-1-(3-methyl-2-propan-2-ylbutyl)benzimidazol-2-amine

C15H22ClN3 — CID 102906797

IUPAC7-chloro-1-(3-methyl-2-propan-2-ylbutyl)benzimidazol-2-amine
SMILESCC(C)C(Cn1c(N)nc2cccc(Cl)c21)C(C)C
InChIInChI=1S/C15H22ClN3/c1-9(2)11(10(3)4)8-19-14-12(16)6-5-7-13(14)18-15(19)17/h5-7,9-11H,8H2,1-4H3,(H2,17,18)
InChIKeyQYKUQCMVFBNMAG-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.20
Rot. Bonds4

About 7-chloro-1-(3-methyl-2-propan-2-ylbutyl)benzimidazol-2-amine

7-chloro-1-(3-methyl-2-propan-2-ylbutyl)benzimidazol-2-amine (PubChem CID 102906797) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 7-chloro-1-(3-methyl-2-propan-2-ylbutyl)benzimidazol-2-amine.

Molecular Properties

Compound Name7-chloro-1-(3-methyl-2-propan-2-ylbutyl)benzimidazol-2-amine
PubChem CID102906797
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name7-chloro-1-(3-methyl-2-propan-2-ylbutyl)benzimidazol-2-amine
SMILESCC(C)C(Cn1c(N)nc2cccc(Cl)c21)C(C)C
InChIInChI=1S/C15H22ClN3/c1-9(2)11(10(3)4)8-19-14-12(16)6-5-7-13(14)18-15(19)17/h5-7,9-11H,8H2,1-4H3,(H2,17,18)
InChIKeyQYKUQCMVFBNMAG-UHFFFAOYSA-N
XLogP4.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763128
7-chloro-1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-2-amine
CID 43661446
7-chlorobenzimidazole-1,2-diamine
CID 84618531
3-(2-amino-7-chlorobenzimidazol-1-yl)propan-1-ol
CID 91671805
7-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine
CID 55097622
7-chloro-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine
CID 114129976
7-chloro-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine
CID 114701188
3-(2-amino-7-chlorobenzimidazol-1-yl)propanoic acid
CID 84736897
7-chloro-1-(cyclopentylmethyl)benzimidazol-2-amine
CID 43662069
7-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine
CID 63547309
7-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
CID 106406055
7-(aminomethyl)-1-(2-methylpropyl)benzimidazol-2-amine
CID 84786297

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(3-methyl-2-propan-2-ylbutyl)benzimidazol-2-amine?
The IUPAC name of 7-chloro-1-(3-methyl-2-propan-2-ylbutyl)benzimidazol-2-amine (CID 102906797) is 7-chloro-1-(3-methyl-2-propan-2-ylbutyl)benzimidazol-2-amine.
What is the SMILES notation for 7-chloro-1-(3-methyl-2-propan-2-ylbutyl)benzimidazol-2-amine?
The canonical SMILES for 7-chloro-1-(3-methyl-2-propan-2-ylbutyl)benzimidazol-2-amine is CC(C)C(Cn1c(N)nc2cccc(Cl)c21)C(C)C.
What is the InChIKey of 7-chloro-1-(3-methyl-2-propan-2-ylbutyl)benzimidazol-2-amine?
The InChIKey is QYKUQCMVFBNMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-9(2)11(10(3)4)8-19-14-12(16)6-5-7-13(14)18-15(19)17/h5-7,9-11H,8H2,1-4H3,(H2,17,18).
What are the key properties of 7-chloro-1-(3-methyl-2-propan-2-ylbutyl)benzimidazol-2-amine?
7-chloro-1-(3-methyl-2-propan-2-ylbutyl)benzimidazol-2-amine has a molecular weight of 279.81 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(3-methyl-2-propan-2-ylbutyl)benzimidazol-2-amine is sourced from PubChem (CID 102906797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).