[1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexyl]methanamine

C19H29N3 — CID 117482514

IUPAC[1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexyl]methanamine
SMILESCn1c(C(C)(C)C)nc2cc(C3(CN)CCCCC3)ccc21
InChIInChI=1S/C19H29N3/c1-18(2,3)17-21-15-12-14(8-9-16(15)22(17)4)19(13-20)10-6-5-7-11-19/h8-9,12H,5-7,10-11,13,20H2,1-4H3
InChIKeyXLLGIYPZYSHOHU-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.03
Rot. Bonds2

About [1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexyl]methanamine

[1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexyl]methanamine (PubChem CID 117482514) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is [1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexyl]methanamine
PubChem CID117482514
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name[1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexyl]methanamine
SMILESCn1c(C(C)(C)C)nc2cc(C3(CN)CCCCC3)ccc21
InChIInChI=1S/C19H29N3/c1-18(2,3)17-21-15-12-14(8-9-16(15)22(17)4)19(13-20)10-6-5-7-11-19/h8-9,12H,5-7,10-11,13,20H2,1-4H3
InChIKeyXLLGIYPZYSHOHU-UHFFFAOYSA-N
XLogP4.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexan-1-amine
CID 117459990
[1-(1-methylindol-5-yl)cyclohexyl]methanamine
CID 117358358
[1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine
CID 117462140
[1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclopentyl]methanamine
CID 117434048
[1-(2-tert-butyl-1,3-benzothiazol-6-yl)cyclohexyl]methanamine
CID 117487447
[1-(1,2-dimethylindol-5-yl)cyclobutyl]methanamine
CID 116996460
[1-(2-tert-butyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine
CID 117431672
[1-(1-methylbenzimidazol-2-yl)cycloheptyl]methanamine
CID 115443651
[1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 113309672
[1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclohexyl]methanamine
CID 117436747
[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225
2-tert-butyl-1-methyl-5-propan-2-ylbenzimidazole
CID 83450237

Frequently Asked Questions

What is the IUPAC name of [1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexyl]methanamine (CID 117482514) is [1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexyl]methanamine is Cn1c(C(C)(C)C)nc2cc(C3(CN)CCCCC3)ccc21.
What is the InChIKey of [1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexyl]methanamine?
The InChIKey is XLLGIYPZYSHOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-18(2,3)17-21-15-12-14(8-9-16(15)22(17)4)19(13-20)10-6-5-7-11-19/h8-9,12H,5-7,10-11,13,20H2,1-4H3.
What are the key properties of [1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexyl]methanamine?
[1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexyl]methanamine has a molecular weight of 299.46 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexyl]methanamine is sourced from PubChem (CID 117482514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).