5-chloro-1-[[1-(dimethylamino)cyclobutyl]methyl]benzimidazol-2-amine

C14H19ClN4 — CID 105419302

IUPAC5-chloro-1-[[1-(dimethylamino)cyclobutyl]methyl]benzimidazol-2-amine
SMILESCN(C)C1(Cn2c(N)nc3cc(Cl)ccc32)CCC1
InChIInChI=1S/C14H19ClN4/c1-18(2)14(6-3-7-14)9-19-12-5-4-10(15)8-11(12)17-13(19)16/h4-5,8H,3,6-7,9H2,1-2H3,(H2,16,17)
InChIKeyJMNBSWAHPSJDJZ-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.76
Rot. Bonds3

About 5-chloro-1-[[1-(dimethylamino)cyclobutyl]methyl]benzimidazol-2-amine

5-chloro-1-[[1-(dimethylamino)cyclobutyl]methyl]benzimidazol-2-amine (PubChem CID 105419302) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 5-chloro-1-[[1-(dimethylamino)cyclobutyl]methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-[[1-(dimethylamino)cyclobutyl]methyl]benzimidazol-2-amine
PubChem CID105419302
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name5-chloro-1-[[1-(dimethylamino)cyclobutyl]methyl]benzimidazol-2-amine
SMILESCN(C)C1(Cn2c(N)nc3cc(Cl)ccc32)CCC1
InChIInChI=1S/C14H19ClN4/c1-18(2)14(6-3-7-14)9-19-12-5-4-10(15)8-11(12)17-13(19)16/h4-5,8H,3,6-7,9H2,1-2H3,(H2,16,17)
InChIKeyJMNBSWAHPSJDJZ-UHFFFAOYSA-N
XLogP2.76
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-[[1-(dimethylamino)cyclopentyl]methyl]benzimidazol-2-amine
CID 83115256
5-chloro-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazol-2-amine
CID 107164637
6-chloro-3-[[1-(dimethylamino)cyclopentyl]methyl]imidazo[4,5-b]pyridin-2-amine
CID 83114633
1-[[1-(dimethylamino)cyclopentyl]methyl]-6-fluorobenzimidazol-2-amine
CID 83115717
1-(2-amino-5-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol
CID 127053647
3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid
CID 82359358
5-chloro-1-[(1,1-dioxothiolan-2-yl)methyl]benzimidazol-2-amine
CID 81040515
5-chloro-1-(2-cyclopentyloxyethyl)benzimidazol-2-amine
CID 63828806
5-chloro-1-(2-cyclohexyloxyethyl)benzimidazol-2-amine
CID 63826682
5-chloro-1-(thian-4-ylmethyl)benzimidazol-2-amine
CID 113487879
5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine
CID 114101070
5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-amine
CID 115520874

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[[1-(dimethylamino)cyclobutyl]methyl]benzimidazol-2-amine?
The IUPAC name of 5-chloro-1-[[1-(dimethylamino)cyclobutyl]methyl]benzimidazol-2-amine (CID 105419302) is 5-chloro-1-[[1-(dimethylamino)cyclobutyl]methyl]benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-[[1-(dimethylamino)cyclobutyl]methyl]benzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-[[1-(dimethylamino)cyclobutyl]methyl]benzimidazol-2-amine is CN(C)C1(Cn2c(N)nc3cc(Cl)ccc32)CCC1.
What is the InChIKey of 5-chloro-1-[[1-(dimethylamino)cyclobutyl]methyl]benzimidazol-2-amine?
The InChIKey is JMNBSWAHPSJDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-18(2)14(6-3-7-14)9-19-12-5-4-10(15)8-11(12)17-13(19)16/h4-5,8H,3,6-7,9H2,1-2H3,(H2,16,17).
What are the key properties of 5-chloro-1-[[1-(dimethylamino)cyclobutyl]methyl]benzimidazol-2-amine?
5-chloro-1-[[1-(dimethylamino)cyclobutyl]methyl]benzimidazol-2-amine has a molecular weight of 278.79 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[[1-(dimethylamino)cyclobutyl]methyl]benzimidazol-2-amine is sourced from PubChem (CID 105419302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).