(2-heptan-4-yl-1-methylbenzimidazol-5-yl)methanamine

C16H25N3 — CID 82987206

IUPAC(2-heptan-4-yl-1-methylbenzimidazol-5-yl)methanamine
SMILESCCCC(CCC)c1nc2cc(CN)ccc2n1C
InChIInChI=1S/C16H25N3/c1-4-6-13(7-5-2)16-18-14-10-12(11-17)8-9-15(14)19(16)3/h8-10,13H,4-7,11,17H2,1-3H3
InChIKeyRXNKAKWCXFNEFQ-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.72
Rot. Bonds6

About (2-heptan-4-yl-1-methylbenzimidazol-5-yl)methanamine

(2-heptan-4-yl-1-methylbenzimidazol-5-yl)methanamine (PubChem CID 82987206) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is (2-heptan-4-yl-1-methylbenzimidazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-heptan-4-yl-1-methylbenzimidazol-5-yl)methanamine
PubChem CID82987206
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name(2-heptan-4-yl-1-methylbenzimidazol-5-yl)methanamine
SMILESCCCC(CCC)c1nc2cc(CN)ccc2n1C
InChIInChI=1S/C16H25N3/c1-4-6-13(7-5-2)16-18-14-10-12(11-17)8-9-15(14)19(16)3/h8-10,13H,4-7,11,17H2,1-3H3
InChIKeyRXNKAKWCXFNEFQ-UHFFFAOYSA-N
XLogP3.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine
CID 82990601
1-[5-(aminomethyl)-1-methylbenzimidazol-2-yl]ethanol
CID 65040057
(2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine
CID 65037847
(1-tert-butyl-2-pentan-2-ylbenzimidazol-5-yl)methanamine
CID 65037779
[2-(1-cyclopropylethyl)-1-propylbenzimidazol-5-yl]methanamine
CID 83149878
[1-ethyl-2-(3-methylbutan-2-yl)benzimidazol-5-yl]methanamine
CID 65038202
2-(1,2-dimethylbenzimidazol-5-yl)ethanamine
CID 82255152
[2-[(dimethylamino)methyl]-1-methylbenzimidazol-5-yl]methanamine
CID 65037741
[2-(2,6-dimethyl-3-pyridinyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65040719
2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine
CID 81456011
methyl 5-(aminomethyl)-1-methylbenzimidazole-2-carboxylate
CID 84786620
[2-(3-methylbutan-2-yl)-1-(2-methylpropyl)benzimidazol-5-yl]methanamine
CID 65037716

Frequently Asked Questions

What is the IUPAC name of (2-heptan-4-yl-1-methylbenzimidazol-5-yl)methanamine?
The IUPAC name of (2-heptan-4-yl-1-methylbenzimidazol-5-yl)methanamine (CID 82987206) is (2-heptan-4-yl-1-methylbenzimidazol-5-yl)methanamine.
What is the SMILES notation for (2-heptan-4-yl-1-methylbenzimidazol-5-yl)methanamine?
The canonical SMILES for (2-heptan-4-yl-1-methylbenzimidazol-5-yl)methanamine is CCCC(CCC)c1nc2cc(CN)ccc2n1C.
What is the InChIKey of (2-heptan-4-yl-1-methylbenzimidazol-5-yl)methanamine?
The InChIKey is RXNKAKWCXFNEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-4-6-13(7-5-2)16-18-14-10-12(11-17)8-9-15(14)19(16)3/h8-10,13H,4-7,11,17H2,1-3H3.
What are the key properties of (2-heptan-4-yl-1-methylbenzimidazol-5-yl)methanamine?
(2-heptan-4-yl-1-methylbenzimidazol-5-yl)methanamine has a molecular weight of 259.40 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-heptan-4-yl-1-methylbenzimidazol-5-yl)methanamine is sourced from PubChem (CID 82987206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).