(1-methylbenzimidazol-5-yl) N-pentan-3-ylcarbamate

C14H19N3O2 — CID 90538291

IUPAC(1-methylbenzimidazol-5-yl) N-pentan-3-ylcarbamate
SMILESCCC(CC)NC(=O)Oc1ccc2c(c1)ncn2C
InChIInChI=1S/C14H19N3O2/c1-4-10(5-2)16-14(18)19-11-6-7-13-12(8-11)15-9-17(13)3/h6-10H,4-5H2,1-3H3,(H,16,18)
InChIKeyQLHROYDJWCGSNR-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.85
Rot. Bonds4

About (1-methylbenzimidazol-5-yl) N-pentan-3-ylcarbamate

(1-methylbenzimidazol-5-yl) N-pentan-3-ylcarbamate (PubChem CID 90538291) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (1-methylbenzimidazol-5-yl) N-pentan-3-ylcarbamate.

Molecular Properties

Compound Name(1-methylbenzimidazol-5-yl) N-pentan-3-ylcarbamate
PubChem CID90538291
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(1-methylbenzimidazol-5-yl) N-pentan-3-ylcarbamate
SMILESCCC(CC)NC(=O)Oc1ccc2c(c1)ncn2C
InChIInChI=1S/C14H19N3O2/c1-4-10(5-2)16-14(18)19-11-6-7-13-12(8-11)15-9-17(13)3/h6-10H,4-5H2,1-3H3,(H,16,18)
InChIKeyQLHROYDJWCGSNR-UHFFFAOYSA-N
XLogP2.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylbenzimidazol-5-yl) N-pentan-3-ylcarbamate?
The IUPAC name of (1-methylbenzimidazol-5-yl) N-pentan-3-ylcarbamate (CID 90538291) is (1-methylbenzimidazol-5-yl) N-pentan-3-ylcarbamate.
What is the SMILES notation for (1-methylbenzimidazol-5-yl) N-pentan-3-ylcarbamate?
The canonical SMILES for (1-methylbenzimidazol-5-yl) N-pentan-3-ylcarbamate is CCC(CC)NC(=O)Oc1ccc2c(c1)ncn2C.
What is the InChIKey of (1-methylbenzimidazol-5-yl) N-pentan-3-ylcarbamate?
The InChIKey is QLHROYDJWCGSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-10(5-2)16-14(18)19-11-6-7-13-12(8-11)15-9-17(13)3/h6-10H,4-5H2,1-3H3,(H,16,18).
What are the key properties of (1-methylbenzimidazol-5-yl) N-pentan-3-ylcarbamate?
(1-methylbenzimidazol-5-yl) N-pentan-3-ylcarbamate has a molecular weight of 261.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzimidazol-5-yl) N-pentan-3-ylcarbamate is sourced from PubChem (CID 90538291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).