(2-butyl-3H-benzimidazol-5-yl)methanamine

C12H17N3 — CID 79004472

IUPAC(2-butyl-3H-benzimidazol-5-yl)methanamine
SMILESCCCCc1nc2ccc(CN)cc2[nH]1
InChIInChI=1S/C12H17N3/c1-2-3-4-12-14-10-6-5-9(8-13)7-11(10)15-12/h5-7H,2-4,8,13H2,1H3,(H,14,15)
InChIKeyJMRYTXCXTITUSO-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.36
Rot. Bonds4

About (2-butyl-3H-benzimidazol-5-yl)methanamine

(2-butyl-3H-benzimidazol-5-yl)methanamine (PubChem CID 79004472) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (2-butyl-3H-benzimidazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-butyl-3H-benzimidazol-5-yl)methanamine
PubChem CID79004472
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(2-butyl-3H-benzimidazol-5-yl)methanamine
SMILESCCCCc1nc2ccc(CN)cc2[nH]1
InChIInChI=1S/C12H17N3/c1-2-3-4-12-14-10-6-5-9(8-13)7-11(10)15-12/h5-7H,2-4,8,13H2,1H3,(H,14,15)
InChIKeyJMRYTXCXTITUSO-UHFFFAOYSA-N
XLogP2.36
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-3H-benzimidazol-5-amine
CID 23301932
2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole
CID 101449351
[2-(2-methoxyethyl)-3H-benzimidazol-5-yl]methanamine
CID 79004507
4-(aminomethyl)-N-(2-butyl-3H-benzimidazol-5-yl)benzamide
CID 119854404
[2-(methylaminomethyl)-3H-benzimidazol-5-yl]methanamine
CID 83949221
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080
(2-heptan-3-yl-3H-benzimidazol-5-yl)methanamine
CID 79004401
2-amino-N-(2-butyl-3H-benzimidazol-5-yl)acetamide;dihydrochloride
CID 119854415
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150
4-(6-ethyl-1H-benzimidazol-2-yl)butanoic acid
CID 80502897
6-ethoxy-2-heptadecyl-1H-benzimidazole
CID 71336716
2-heptyl-3H-benzimidazole-5-carbonitrile
CID 79004327

Frequently Asked Questions

What is the IUPAC name of (2-butyl-3H-benzimidazol-5-yl)methanamine?
The IUPAC name of (2-butyl-3H-benzimidazol-5-yl)methanamine (CID 79004472) is (2-butyl-3H-benzimidazol-5-yl)methanamine.
What is the SMILES notation for (2-butyl-3H-benzimidazol-5-yl)methanamine?
The canonical SMILES for (2-butyl-3H-benzimidazol-5-yl)methanamine is CCCCc1nc2ccc(CN)cc2[nH]1.
What is the InChIKey of (2-butyl-3H-benzimidazol-5-yl)methanamine?
The InChIKey is JMRYTXCXTITUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-2-3-4-12-14-10-6-5-9(8-13)7-11(10)15-12/h5-7H,2-4,8,13H2,1H3,(H,14,15).
What are the key properties of (2-butyl-3H-benzimidazol-5-yl)methanamine?
(2-butyl-3H-benzimidazol-5-yl)methanamine has a molecular weight of 203.29 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-3H-benzimidazol-5-yl)methanamine is sourced from PubChem (CID 79004472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).