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

C15H23N3 — CID 79004401

IUPAC(2-heptan-3-yl-3H-benzimidazol-5-yl)methanamine
SMILESCCCCC(CC)c1nc2ccc(CN)cc2[nH]1
InChIInChI=1S/C15H23N3/c1-3-5-6-12(4-2)15-17-13-8-7-11(10-16)9-14(13)18-15/h7-9,12H,3-6,10,16H2,1-2H3,(H,17,18)
InChIKeyNQBSJFQTTZGPBB-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.71
Rot. Bonds6

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

(2-heptan-3-yl-3H-benzimidazol-5-yl)methanamine (PubChem CID 79004401) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is (2-heptan-3-yl-3H-benzimidazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-heptan-3-yl-3H-benzimidazol-5-yl)methanamine
PubChem CID79004401
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name(2-heptan-3-yl-3H-benzimidazol-5-yl)methanamine
SMILESCCCCC(CC)c1nc2ccc(CN)cc2[nH]1
InChIInChI=1S/C15H23N3/c1-3-5-6-12(4-2)15-17-13-8-7-11(10-16)9-14(13)18-15/h7-9,12H,3-6,10,16H2,1-2H3,(H,17,18)
InChIKeyNQBSJFQTTZGPBB-UHFFFAOYSA-N
XLogP3.71
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-heptan-3-yl-3H-benzimidazol-5-yl)methanamine?
The IUPAC name of (2-heptan-3-yl-3H-benzimidazol-5-yl)methanamine (CID 79004401) is (2-heptan-3-yl-3H-benzimidazol-5-yl)methanamine.
What is the SMILES notation for (2-heptan-3-yl-3H-benzimidazol-5-yl)methanamine?
The canonical SMILES for (2-heptan-3-yl-3H-benzimidazol-5-yl)methanamine is CCCCC(CC)c1nc2ccc(CN)cc2[nH]1.
What is the InChIKey of (2-heptan-3-yl-3H-benzimidazol-5-yl)methanamine?
The InChIKey is NQBSJFQTTZGPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-5-6-12(4-2)15-17-13-8-7-11(10-16)9-14(13)18-15/h7-9,12H,3-6,10,16H2,1-2H3,(H,17,18).
What are the key properties of (2-heptan-3-yl-3H-benzimidazol-5-yl)methanamine?
(2-heptan-3-yl-3H-benzimidazol-5-yl)methanamine has a molecular weight of 245.37 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-heptan-3-yl-3H-benzimidazol-5-yl)methanamine is sourced from PubChem (CID 79004401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).