[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone

C18H25N5O2 — CID 3545151

IUPAC[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nc2ccccc21
InChIInChI=1S/C18H25N5O2/c1-2-23-16-6-4-3-5-15(16)19-17(23)20-7-9-21(10-8-20)18(24)22-11-13-25-14-12-22/h3-6H,2,7-14H2,1H3
InChIKeyMTVCISBTGBXZGC-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.63
Rot. Bonds2

About [4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone

[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 3545151) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is [4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID3545151
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nc2ccccc21
InChIInChI=1S/C18H25N5O2/c1-2-23-16-6-4-3-5-15(16)19-17(23)20-7-9-21(10-8-20)18(24)22-11-13-25-14-12-22/h3-6H,2,7-14H2,1H3
InChIKeyMTVCISBTGBXZGC-UHFFFAOYSA-N
XLogP1.63
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-morpholin-4-ylbenzimidazol-1-yl)acetic acid
CID 46784645
methyl 2-(2-morpholin-4-ylbenzimidazol-1-yl)acetate
CID 66492644
cyclohexyl-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]methanone
CID 46375584
2-cyclohexyl-1-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]ethanone
CID 46375593
2-(2-morpholin-4-ylbenzimidazol-1-yl)ethanol
CID 46784646
4-(1-ethylbenzimidazol-2-yl)-N-methylpiperazine-1-carbothioamide
CID 1462205
N-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 44754338
N-(1,3-benzodioxol-5-yl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375452
4-(1-ethylbenzimidazol-2-yl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 46375439
N-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375427
4-(1-prop-2-enylbenzimidazol-2-yl)morpholine
CID 828615
trimethyl-[2-[(2-morpholin-4-ylbenzimidazol-1-yl)methoxy]ethyl]silane
CID 156708125

Frequently Asked Questions

What is the IUPAC name of [4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone (CID 3545151) is [4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone is CCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nc2ccccc21.
What is the InChIKey of [4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is MTVCISBTGBXZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-2-23-16-6-4-3-5-15(16)19-17(23)20-7-9-21(10-8-20)18(24)22-11-13-25-14-12-22/h3-6H,2,7-14H2,1H3.
What are the key properties of [4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone?
[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 343.43 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3545151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).