3-[1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

C23H25N3O3 — CID 154839744

IUPAC3-[1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1ccc2c(c1)CCC(C(=O)N1CCC(n3c(=O)[nH]c4ccccc43)CC1)O2
InChIInChI=1S/C23H25N3O3/c1-15-6-8-20-16(14-15)7-9-21(29-20)22(27)25-12-10-17(11-13-25)26-19-5-3-2-4-18(19)24-23(26)28/h2-6,8,14,17,21H,7,9-13H2,1H3,(H,24,28)
InChIKeyMLCGWCACRGDVHU-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.20
Rot. Bonds2

About 3-[1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 154839744) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-[1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID154839744
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3-[1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1ccc2c(c1)CCC(C(=O)N1CCC(n3c(=O)[nH]c4ccccc43)CC1)O2
InChIInChI=1S/C23H25N3O3/c1-15-6-8-20-16(14-15)7-9-21(29-20)22(27)25-12-10-17(11-13-25)26-19-5-3-2-4-18(19)24-23(26)28/h2-6,8,14,17,21H,7,9-13H2,1H3,(H,24,28)
InChIKeyMLCGWCACRGDVHU-UHFFFAOYSA-N
XLogP3.20
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

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Related Compounds

3-[1-[(2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 25382426
3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 58863178
3-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 95377026
3-[1-(6,7-dihydro-5H-cyclopenta[b]pyridine-7-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 128531036
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
CID 91445374
CID 91445374
3-[1-(5-methyl-3-phenyl-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 25071397
3-[1-(2-methyl-5-methylsulfanylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 52559061
N-(2-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 24735703
(6-methyl-3,4-dihydro-2H-chromen-2-yl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 136538921
3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968110
N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 72874750

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 154839744) is 3-[1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is Cc1ccc2c(c1)CCC(C(=O)N1CCC(n3c(=O)[nH]c4ccccc43)CC1)O2.
What is the InChIKey of 3-[1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is MLCGWCACRGDVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-6-8-20-16(14-15)7-9-21(29-20)22(27)25-12-10-17(11-13-25)26-19-5-3-2-4-18(19)24-23(26)28/h2-6,8,14,17,21H,7,9-13H2,1H3,(H,24,28).
What are the key properties of 3-[1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 391.47 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 154839744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).