[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone

C20H27N3O2 — CID 155505099

IUPAC[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
SMILESCCCC[C@@H]1CN(C(=O)c2ccc3c(c2)ncn3C)C[C@H](C2CC2)O1
InChIInChI=1S/C20H27N3O2/c1-3-4-5-16-11-23(12-19(25-16)14-6-7-14)20(24)15-8-9-18-17(10-15)21-13-22(18)2/h8-10,13-14,16,19H,3-7,11-12H2,1-2H3/t16-,19-/m1/s1
InChIKeyMKVVHVOVQZTKMJ-VQIMIIECSA-N
MW341.45 g/mol
LogP3.38
Rot. Bonds5

About [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone

[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone (PubChem CID 155505099) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone.

Molecular Properties

Compound Name[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
PubChem CID155505099
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
SMILESCCCC[C@@H]1CN(C(=O)c2ccc3c(c2)ncn3C)C[C@H](C2CC2)O1
InChIInChI=1S/C20H27N3O2/c1-3-4-5-16-11-23(12-19(25-16)14-6-7-14)20(24)15-8-9-18-17(10-15)21-13-22(18)2/h8-10,13-14,16,19H,3-7,11-12H2,1-2H3/t16-,19-/m1/s1
InChIKeyMKVVHVOVQZTKMJ-VQIMIIECSA-N
XLogP3.38
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 155508884
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(furan-3-yl)methanone
CID 134712177
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-methylfuran-3-yl)methanone
CID 134713725
[2-(ethoxymethyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 136555325
(4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 110692570
(3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 83733082
(1-methylbenzimidazol-5-yl)-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 125169053
cyclopentyl-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110801662
2-ethyl-1-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 110801799
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone
CID 155502885
N,N-dimethyl-2-[1-(1-methylbenzimidazole-5-carbonyl)piperidin-4-yl]acetamide
CID 92633830
[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110801207

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone?
The IUPAC name of [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone (CID 155505099) is [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone.
What is the SMILES notation for [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone?
The canonical SMILES for [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone is CCCC[C@@H]1CN(C(=O)c2ccc3c(c2)ncn3C)C[C@H](C2CC2)O1.
What is the InChIKey of [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone?
The InChIKey is MKVVHVOVQZTKMJ-VQIMIIECSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-4-5-16-11-23(12-19(25-16)14-6-7-14)20(24)15-8-9-18-17(10-15)21-13-22(18)2/h8-10,13-14,16,19H,3-7,11-12H2,1-2H3/t16-,19-/m1/s1.
What are the key properties of [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone?
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone has a molecular weight of 341.45 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone is sourced from PubChem (CID 155505099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).