[1-tert-butyl-2-(5-chlorofuran-2-yl)benzimidazol-5-yl]methanamine

C16H18ClN3O — CID 106690306

IUPAC[1-tert-butyl-2-(5-chlorofuran-2-yl)benzimidazol-5-yl]methanamine
SMILESCC(C)(C)n1c(-c2ccc(Cl)o2)nc2cc(CN)ccc21
InChIInChI=1S/C16H18ClN3O/c1-16(2,3)20-12-5-4-10(9-18)8-11(12)19-15(20)13-6-7-14(17)21-13/h4-8H,9,18H2,1-3H3
InChIKeyBAKGKLOBHHYZSI-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.16
Rot. Bonds2

About [1-tert-butyl-2-(5-chlorofuran-2-yl)benzimidazol-5-yl]methanamine

[1-tert-butyl-2-(5-chlorofuran-2-yl)benzimidazol-5-yl]methanamine (PubChem CID 106690306) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is [1-tert-butyl-2-(5-chlorofuran-2-yl)benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-tert-butyl-2-(5-chlorofuran-2-yl)benzimidazol-5-yl]methanamine
PubChem CID106690306
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name[1-tert-butyl-2-(5-chlorofuran-2-yl)benzimidazol-5-yl]methanamine
SMILESCC(C)(C)n1c(-c2ccc(Cl)o2)nc2cc(CN)ccc21
InChIInChI=1S/C16H18ClN3O/c1-16(2,3)20-12-5-4-10(9-18)8-11(12)19-15(20)13-6-7-14(17)21-13/h4-8H,9,18H2,1-3H3
InChIKeyBAKGKLOBHHYZSI-UHFFFAOYSA-N
XLogP4.16
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-chlorofuran-2-yl)-1-ethylbenzimidazol-5-yl]methanamine
CID 106690304
(1-tert-butyl-2-pyridazin-4-ylbenzimidazol-5-yl)methanamine
CID 104672949
[1-tert-butyl-2-(methylsulfanylmethyl)benzimidazol-5-yl]methanamine
CID 65038212
(1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine
CID 65038224
(1-tert-butyl-2-pentan-2-ylbenzimidazol-5-yl)methanamine
CID 65037779
3-[5-(aminomethyl)-1-tert-butylbenzimidazol-2-yl]propan-1-ol
CID 79200194
[2-(2-chloro-6-fluorophenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65040058
5-chloro-1-[(4-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole
CID 129161925
[2-(2,5-difluorophenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65040476
[2-(4-tert-butylthiadiazol-5-yl)-1-methylbenzimidazol-5-yl]methanamine
CID 65207947
[2-(4,5-dibromothiophen-2-yl)-1-propylbenzimidazol-5-yl]methanamine
CID 80537091
[4-(5-bromo-1-propylbenzimidazol-2-yl)phenyl]methanamine
CID 60785381

Frequently Asked Questions

What is the IUPAC name of [1-tert-butyl-2-(5-chlorofuran-2-yl)benzimidazol-5-yl]methanamine?
The IUPAC name of [1-tert-butyl-2-(5-chlorofuran-2-yl)benzimidazol-5-yl]methanamine (CID 106690306) is [1-tert-butyl-2-(5-chlorofuran-2-yl)benzimidazol-5-yl]methanamine.
What is the SMILES notation for [1-tert-butyl-2-(5-chlorofuran-2-yl)benzimidazol-5-yl]methanamine?
The canonical SMILES for [1-tert-butyl-2-(5-chlorofuran-2-yl)benzimidazol-5-yl]methanamine is CC(C)(C)n1c(-c2ccc(Cl)o2)nc2cc(CN)ccc21.
What is the InChIKey of [1-tert-butyl-2-(5-chlorofuran-2-yl)benzimidazol-5-yl]methanamine?
The InChIKey is BAKGKLOBHHYZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-16(2,3)20-12-5-4-10(9-18)8-11(12)19-15(20)13-6-7-14(17)21-13/h4-8H,9,18H2,1-3H3.
What are the key properties of [1-tert-butyl-2-(5-chlorofuran-2-yl)benzimidazol-5-yl]methanamine?
[1-tert-butyl-2-(5-chlorofuran-2-yl)benzimidazol-5-yl]methanamine has a molecular weight of 303.79 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-tert-butyl-2-(5-chlorofuran-2-yl)benzimidazol-5-yl]methanamine is sourced from PubChem (CID 106690306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).