3-(4-hydroxycyclohexyl)-6-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-benzimidazol-2-one

C20H25N7O4 — CID 157014401

IUPAC3-(4-hydroxycyclohexyl)-6-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-benzimidazol-2-one
SMILESCn1nnnc1C1CN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCC(O)CC2)CCO1
InChIInChI=1S/C20H25N7O4/c1-25-18(22-23-24-25)17-11-26(8-9-31-17)19(29)12-2-7-16-15(10-12)21-20(30)27(16)13-3-5-14(28)6-4-13/h2,7,10,13-14,17,28H,3-6,8-9,11H2,1H3,(H,21,30)
InChIKeyYOKAKIXCBSCNTB-UHFFFAOYSA-N
MW427.47 g/mol
LogP0.54
Rot. Bonds3

About 3-(4-hydroxycyclohexyl)-6-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-benzimidazol-2-one

3-(4-hydroxycyclohexyl)-6-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-benzimidazol-2-one (PubChem CID 157014401) has the molecular formula C20H25N7O4 and a molecular weight of 427.47 g/mol. Its IUPAC name is 3-(4-hydroxycyclohexyl)-6-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(4-hydroxycyclohexyl)-6-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-benzimidazol-2-one
PubChem CID157014401
Molecular FormulaC20H25N7O4
Molecular Weight427.47 g/mol
Exact Mass427.20
IUPAC Name3-(4-hydroxycyclohexyl)-6-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-benzimidazol-2-one
SMILESCn1nnnc1C1CN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCC(O)CC2)CCO1
InChIInChI=1S/C20H25N7O4/c1-25-18(22-23-24-25)17-11-26(8-9-31-17)19(29)12-2-7-16-15(10-12)21-20(30)27(16)13-3-5-14(28)6-4-13/h2,7,10,13-14,17,28H,3-6,8-9,11H2,1H3,(H,21,30)
InChIKeyYOKAKIXCBSCNTB-UHFFFAOYSA-N
XLogP0.54
TPSA131.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-(4-hydroxycyclohexyl)-6-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-benzimidazol-2-one with MolForge

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Related Compounds

3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
CID 119074354
7-chloro-3-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-quinolin-4-one
CID 163304992
2-methyl-4-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]phthalazin-1-one
CID 165420118
2-methyl-5-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 163309470
1-(4-hydroxycyclohexyl)-N-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 70771286
6-[(3S)-3-benzyl-5-oxopiperazine-1-carbonyl]-3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
CID 137337152
1-(1-cyclopropyl-2-oxo-3H-benzimidazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 136552219
3-cyclopentyl-6-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-benzimidazol-2-one
CID 119638825
1-(4-hydroxycyclohexyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide
CID 70780487
6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one
CID 119486752
3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
CID 70115038
(5-methyl-3-phenyl-1H-pyrazol-4-yl)-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157017306

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxycyclohexyl)-6-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-(4-hydroxycyclohexyl)-6-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-benzimidazol-2-one (CID 157014401) is 3-(4-hydroxycyclohexyl)-6-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(4-hydroxycyclohexyl)-6-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-(4-hydroxycyclohexyl)-6-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-benzimidazol-2-one is Cn1nnnc1C1CN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCC(O)CC2)CCO1.
What is the InChIKey of 3-(4-hydroxycyclohexyl)-6-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-benzimidazol-2-one?
The InChIKey is YOKAKIXCBSCNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O4/c1-25-18(22-23-24-25)17-11-26(8-9-31-17)19(29)12-2-7-16-15(10-12)21-20(30)27(16)13-3-5-14(28)6-4-13/h2,7,10,13-14,17,28H,3-6,8-9,11H2,1H3,(H,21,30).
What are the key properties of 3-(4-hydroxycyclohexyl)-6-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-benzimidazol-2-one?
3-(4-hydroxycyclohexyl)-6-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-benzimidazol-2-one has a molecular weight of 427.47 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxycyclohexyl)-6-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 157014401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).