(3S)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-3-carboxamide

C15H19FN4O2 — CID 124697394

IUPAC(3S)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-3-carboxamide
SMILESCn1c(CCNC(=O)[C@@H]2COCCN2)nc2ccc(F)cc21
InChIInChI=1S/C15H19FN4O2/c1-20-13-8-10(16)2-3-11(13)19-14(20)4-5-18-15(21)12-9-22-7-6-17-12/h2-3,8,12,17H,4-7,9H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyVTQVNQKBEKIEBI-LBPRGKRZSA-N
MW306.34 g/mol
LogP0.36
Rot. Bonds4

About (3S)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-3-carboxamide

(3S)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-3-carboxamide (PubChem CID 124697394) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is (3S)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-3-carboxamide
PubChem CID124697394
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Name(3S)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-3-carboxamide
SMILESCn1c(CCNC(=O)[C@@H]2COCCN2)nc2ccc(F)cc21
InChIInChI=1S/C15H19FN4O2/c1-20-13-8-10(16)2-3-11(13)19-14(20)4-5-18-15(21)12-9-22-7-6-17-12/h2-3,8,12,17H,4-7,9H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyVTQVNQKBEKIEBI-LBPRGKRZSA-N
XLogP0.36
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-3-carboxamide (CID 124697394) is (3S)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-3-carboxamide is Cn1c(CCNC(=O)[C@@H]2COCCN2)nc2ccc(F)cc21.
What is the InChIKey of (3S)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-3-carboxamide?
The InChIKey is VTQVNQKBEKIEBI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-20-13-8-10(16)2-3-11(13)19-14(20)4-5-18-15(21)12-9-22-7-6-17-12/h2-3,8,12,17H,4-7,9H2,1H3,(H,18,21)/t12-/m0/s1.
What are the key properties of (3S)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-3-carboxamide?
(3S)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-3-carboxamide has a molecular weight of 306.34 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 124697394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).