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

C22H23N3O3 — CID 95377026

IUPAC3-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C([C@H]1COc2ccccc2C1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C22H23N3O3/c26-21(16-13-15-5-1-4-8-20(15)28-14-16)24-11-9-17(10-12-24)25-19-7-3-2-6-18(19)23-22(25)27/h1-8,16-17H,9-14H2,(H,23,27)/t16-/m1/s1
InChIKeyUAIQAQTZWUOYTH-MRXNPFEDSA-N
MW377.44 g/mol
LogP2.74
Rot. Bonds2

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

3-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 95377026) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID95377026
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C([C@H]1COc2ccccc2C1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C22H23N3O3/c26-21(16-13-15-5-1-4-8-20(15)28-14-16)24-11-9-17(10-12-24)25-19-7-3-2-6-18(19)23-22(25)27/h1-8,16-17H,9-14H2,(H,23,27)/t16-/m1/s1
InChIKeyUAIQAQTZWUOYTH-MRXNPFEDSA-N
XLogP2.74
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 58863178
3,4-dihydro-2H-chromen-3-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 22578087
3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone
CID 63565455
N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 72874750
[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
CID 26794764
3-[1-[(2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 25382426
3-[1-(6,7-dihydro-5H-cyclopenta[b]pyridine-7-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 128531036
[(3S)-3,4-dihydro-2H-chromen-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 129367014
N-cyclopropyl-1-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]piperidine-4-carboxamide
CID 25461334
4-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one
CID 17409754
3-[1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 154839744
CID 91445374
CID 91445374

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 95377026) is 3-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=C([C@H]1COc2ccccc2C1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is UAIQAQTZWUOYTH-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-21(16-13-15-5-1-4-8-20(15)28-14-16)24-11-9-17(10-12-24)25-19-7-3-2-6-18(19)23-22(25)27/h1-8,16-17H,9-14H2,(H,23,27)/t16-/m1/s1.
What are the key properties of 3-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 377.44 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 95377026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).