1-pentan-3-yl-4,5,6,7-tetrahydrobenzimidazole

C12H20N2 — CID 116626359

IUPAC1-pentan-3-yl-4,5,6,7-tetrahydrobenzimidazole
SMILESCCC(CC)n1cnc2c1CCCC2
InChIInChI=1S/C12H20N2/c1-3-10(4-2)14-9-13-11-7-5-6-8-12(11)14/h9-10H,3-8H2,1-2H3
InChIKeyKFNSVPWODZYFIP-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.12
Rot. Bonds3

About 1-pentan-3-yl-4,5,6,7-tetrahydrobenzimidazole

1-pentan-3-yl-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 116626359) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-pentan-3-yl-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-pentan-3-yl-4,5,6,7-tetrahydrobenzimidazole
PubChem CID116626359
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-pentan-3-yl-4,5,6,7-tetrahydrobenzimidazole
SMILESCCC(CC)n1cnc2c1CCCC2
InChIInChI=1S/C12H20N2/c1-3-10(4-2)14-9-13-11-7-5-6-8-12(11)14/h9-10H,3-8H2,1-2H3
InChIKeyKFNSVPWODZYFIP-UHFFFAOYSA-N
XLogP3.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-yl-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-pentan-3-yl-4,5,6,7-tetrahydrobenzimidazole (CID 116626359) is 1-pentan-3-yl-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-pentan-3-yl-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-pentan-3-yl-4,5,6,7-tetrahydrobenzimidazole is CCC(CC)n1cnc2c1CCCC2.
What is the InChIKey of 1-pentan-3-yl-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is KFNSVPWODZYFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-10(4-2)14-9-13-11-7-5-6-8-12(11)14/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-pentan-3-yl-4,5,6,7-tetrahydrobenzimidazole?
1-pentan-3-yl-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 192.31 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-yl-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 116626359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).