(3S)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-morpholin-4-ylbutanamide

C18H26N4O2 — CID 124754582

IUPAC(3S)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-morpholin-4-ylbutanamide
SMILESCc1ccc2nc(CCNC(=O)C[C@H](C)N3CCOCC3)[nH]c2c1
InChIInChI=1S/C18H26N4O2/c1-13-3-4-15-16(11-13)21-17(20-15)5-6-19-18(23)12-14(2)22-7-9-24-10-8-22/h3-4,11,14H,5-10,12H2,1-2H3,(H,19,23)(H,20,21)/t14-/m0/s1
InChIKeyOJBXLTKTEJZKIJ-AWEZNQCLSA-N
MW330.43 g/mol
LogP1.64
Rot. Bonds6

About (3S)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-morpholin-4-ylbutanamide

(3S)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-morpholin-4-ylbutanamide (PubChem CID 124754582) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3S)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-morpholin-4-ylbutanamide.

Molecular Properties

Compound Name(3S)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-morpholin-4-ylbutanamide
PubChem CID124754582
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(3S)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-morpholin-4-ylbutanamide
SMILESCc1ccc2nc(CCNC(=O)C[C@H](C)N3CCOCC3)[nH]c2c1
InChIInChI=1S/C18H26N4O2/c1-13-3-4-15-16(11-13)21-17(20-15)5-6-19-18(23)12-14(2)22-7-9-24-10-8-22/h3-4,11,14H,5-10,12H2,1-2H3,(H,19,23)(H,20,21)/t14-/m0/s1
InChIKeyOJBXLTKTEJZKIJ-AWEZNQCLSA-N
XLogP1.64
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-morpholin-4-ylbutanamide?
The IUPAC name of (3S)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-morpholin-4-ylbutanamide (CID 124754582) is (3S)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-morpholin-4-ylbutanamide.
What is the SMILES notation for (3S)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-morpholin-4-ylbutanamide?
The canonical SMILES for (3S)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-morpholin-4-ylbutanamide is Cc1ccc2nc(CCNC(=O)C[C@H](C)N3CCOCC3)[nH]c2c1.
What is the InChIKey of (3S)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-morpholin-4-ylbutanamide?
The InChIKey is OJBXLTKTEJZKIJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-3-4-15-16(11-13)21-17(20-15)5-6-19-18(23)12-14(2)22-7-9-24-10-8-22/h3-4,11,14H,5-10,12H2,1-2H3,(H,19,23)(H,20,21)/t14-/m0/s1.
What are the key properties of (3S)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-morpholin-4-ylbutanamide?
(3S)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-morpholin-4-ylbutanamide has a molecular weight of 330.43 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-morpholin-4-ylbutanamide is sourced from PubChem (CID 124754582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).