(1-methyl-2-pentan-3-ylbenzimidazol-4-yl)methanamine

C14H21N3 — CID 113445267

IUPAC(1-methyl-2-pentan-3-ylbenzimidazol-4-yl)methanamine
SMILESCCC(CC)c1nc2c(CN)cccc2n1C
InChIInChI=1S/C14H21N3/c1-4-10(5-2)14-16-13-11(9-15)7-6-8-12(13)17(14)3/h6-8,10H,4-5,9,15H2,1-3H3
InChIKeyFZKKHFGNHKCAHA-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.94
Rot. Bonds4

About (1-methyl-2-pentan-3-ylbenzimidazol-4-yl)methanamine

(1-methyl-2-pentan-3-ylbenzimidazol-4-yl)methanamine (PubChem CID 113445267) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (1-methyl-2-pentan-3-ylbenzimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-methyl-2-pentan-3-ylbenzimidazol-4-yl)methanamine
PubChem CID113445267
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name(1-methyl-2-pentan-3-ylbenzimidazol-4-yl)methanamine
SMILESCCC(CC)c1nc2c(CN)cccc2n1C
InChIInChI=1S/C14H21N3/c1-4-10(5-2)14-16-13-11(9-15)7-6-8-12(13)17(14)3/h6-8,10H,4-5,9,15H2,1-3H3
InChIKeyFZKKHFGNHKCAHA-UHFFFAOYSA-N
XLogP2.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-2-pentan-3-ylbenzimidazol-4-yl)methanamine?
The IUPAC name of (1-methyl-2-pentan-3-ylbenzimidazol-4-yl)methanamine (CID 113445267) is (1-methyl-2-pentan-3-ylbenzimidazol-4-yl)methanamine.
What is the SMILES notation for (1-methyl-2-pentan-3-ylbenzimidazol-4-yl)methanamine?
The canonical SMILES for (1-methyl-2-pentan-3-ylbenzimidazol-4-yl)methanamine is CCC(CC)c1nc2c(CN)cccc2n1C.
What is the InChIKey of (1-methyl-2-pentan-3-ylbenzimidazol-4-yl)methanamine?
The InChIKey is FZKKHFGNHKCAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-10(5-2)14-16-13-11(9-15)7-6-8-12(13)17(14)3/h6-8,10H,4-5,9,15H2,1-3H3.
What are the key properties of (1-methyl-2-pentan-3-ylbenzimidazol-4-yl)methanamine?
(1-methyl-2-pentan-3-ylbenzimidazol-4-yl)methanamine has a molecular weight of 231.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2-pentan-3-ylbenzimidazol-4-yl)methanamine is sourced from PubChem (CID 113445267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).