(5-methyl-2-pyrrolidin-3-yl-1H-benzimidazol-4-yl) carbamate

C13H16N4O2 — CID 70082333

IUPAC(5-methyl-2-pyrrolidin-3-yl-1H-benzimidazol-4-yl) carbamate
SMILESCc1ccc2[nH]c(C3CCNC3)nc2c1OC(N)=O
InChIInChI=1S/C13H16N4O2/c1-7-2-3-9-10(11(7)19-13(14)18)17-12(16-9)8-4-5-15-6-8/h2-3,8,15H,4-6H2,1H3,(H2,14,18)(H,16,17)
InChIKeyBPGNXTCNCNWPKP-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.41
Rot. Bonds2

About (5-methyl-2-pyrrolidin-3-yl-1H-benzimidazol-4-yl) carbamate

(5-methyl-2-pyrrolidin-3-yl-1H-benzimidazol-4-yl) carbamate (PubChem CID 70082333) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (5-methyl-2-pyrrolidin-3-yl-1H-benzimidazol-4-yl) carbamate.

Molecular Properties

Compound Name(5-methyl-2-pyrrolidin-3-yl-1H-benzimidazol-4-yl) carbamate
PubChem CID70082333
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(5-methyl-2-pyrrolidin-3-yl-1H-benzimidazol-4-yl) carbamate
SMILESCc1ccc2[nH]c(C3CCNC3)nc2c1OC(N)=O
InChIInChI=1S/C13H16N4O2/c1-7-2-3-9-10(11(7)19-13(14)18)17-12(16-9)8-4-5-15-6-8/h2-3,8,15H,4-6H2,1H3,(H2,14,18)(H,16,17)
InChIKeyBPGNXTCNCNWPKP-UHFFFAOYSA-N
XLogP1.41
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-pyrrolidin-3-yl-1H-benzimidazol-4-yl) carbamate?
The IUPAC name of (5-methyl-2-pyrrolidin-3-yl-1H-benzimidazol-4-yl) carbamate (CID 70082333) is (5-methyl-2-pyrrolidin-3-yl-1H-benzimidazol-4-yl) carbamate.
What is the SMILES notation for (5-methyl-2-pyrrolidin-3-yl-1H-benzimidazol-4-yl) carbamate?
The canonical SMILES for (5-methyl-2-pyrrolidin-3-yl-1H-benzimidazol-4-yl) carbamate is Cc1ccc2[nH]c(C3CCNC3)nc2c1OC(N)=O.
What is the InChIKey of (5-methyl-2-pyrrolidin-3-yl-1H-benzimidazol-4-yl) carbamate?
The InChIKey is BPGNXTCNCNWPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-7-2-3-9-10(11(7)19-13(14)18)17-12(16-9)8-4-5-15-6-8/h2-3,8,15H,4-6H2,1H3,(H2,14,18)(H,16,17).
What are the key properties of (5-methyl-2-pyrrolidin-3-yl-1H-benzimidazol-4-yl) carbamate?
(5-methyl-2-pyrrolidin-3-yl-1H-benzimidazol-4-yl) carbamate has a molecular weight of 260.30 g/mol, XLogP of 1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-pyrrolidin-3-yl-1H-benzimidazol-4-yl) carbamate is sourced from PubChem (CID 70082333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).