7-[3-cyclopropyl-5-(2-methoxyethylamino)piperidin-1-yl]-2,3-dihydro-1H-benzimidazole-4-carbonitrile

C19H27N5O — CID 145336525

IUPAC7-[3-cyclopropyl-5-(2-methoxyethylamino)piperidin-1-yl]-2,3-dihydro-1H-benzimidazole-4-carbonitrile
SMILESCOCCNC1CC(C2CC2)CN(c2ccc(C#N)c3c2NCN3)C1
InChIInChI=1S/C19H27N5O/c1-25-7-6-21-16-8-15(13-2-3-13)10-24(11-16)17-5-4-14(9-20)18-19(17)23-12-22-18/h4-5,13,15-16,21-23H,2-3,6-8,10-12H2,1H3
InChIKeyKIYYDZCUDVUOOW-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.19
Rot. Bonds6

About 7-[3-cyclopropyl-5-(2-methoxyethylamino)piperidin-1-yl]-2,3-dihydro-1H-benzimidazole-4-carbonitrile

7-[3-cyclopropyl-5-(2-methoxyethylamino)piperidin-1-yl]-2,3-dihydro-1H-benzimidazole-4-carbonitrile (PubChem CID 145336525) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 7-[3-cyclopropyl-5-(2-methoxyethylamino)piperidin-1-yl]-2,3-dihydro-1H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name7-[3-cyclopropyl-5-(2-methoxyethylamino)piperidin-1-yl]-2,3-dihydro-1H-benzimidazole-4-carbonitrile
PubChem CID145336525
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name7-[3-cyclopropyl-5-(2-methoxyethylamino)piperidin-1-yl]-2,3-dihydro-1H-benzimidazole-4-carbonitrile
SMILESCOCCNC1CC(C2CC2)CN(c2ccc(C#N)c3c2NCN3)C1
InChIInChI=1S/C19H27N5O/c1-25-7-6-21-16-8-15(13-2-3-13)10-24(11-16)17-5-4-14(9-20)18-19(17)23-12-22-18/h4-5,13,15-16,21-23H,2-3,6-8,10-12H2,1H3
InChIKeyKIYYDZCUDVUOOW-UHFFFAOYSA-N
XLogP2.19
TPSA72.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(3R,5S)-3-(2-methoxyethylamino)-5-methylpiperidin-1-yl]quinoline-8-carbonitrile
CID 121411625
8-[(3S,5R)-3-(2-methoxyethylamino)-5-(trifluoromethyl)piperidin-1-yl]quinoxaline-5-carbonitrile
CID 129240583
N-[2-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]ethyl]methanesulfonamide
CID 146329643
4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-fluoro-3-(hydroxymethyl)benzonitrile
CID 172835562
4-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile
CID 11624590
cis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine
CID 95368704
5-fluoro-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]benzonitrile
CID 82017052
5-chloro-2-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]benzonitrile
CID 133331890
N-(2-methoxyethyl)-4-methylcycloheptan-1-amine
CID 65081207
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-methylbenzonitrile
CID 66212028
2-[[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]amino]acetamide
CID 121411666
N-(2-methoxyethyl)cycloheptanamine
CID 22484521

Frequently Asked Questions

What is the IUPAC name of 7-[3-cyclopropyl-5-(2-methoxyethylamino)piperidin-1-yl]-2,3-dihydro-1H-benzimidazole-4-carbonitrile?
The IUPAC name of 7-[3-cyclopropyl-5-(2-methoxyethylamino)piperidin-1-yl]-2,3-dihydro-1H-benzimidazole-4-carbonitrile (CID 145336525) is 7-[3-cyclopropyl-5-(2-methoxyethylamino)piperidin-1-yl]-2,3-dihydro-1H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 7-[3-cyclopropyl-5-(2-methoxyethylamino)piperidin-1-yl]-2,3-dihydro-1H-benzimidazole-4-carbonitrile?
The canonical SMILES for 7-[3-cyclopropyl-5-(2-methoxyethylamino)piperidin-1-yl]-2,3-dihydro-1H-benzimidazole-4-carbonitrile is COCCNC1CC(C2CC2)CN(c2ccc(C#N)c3c2NCN3)C1.
What is the InChIKey of 7-[3-cyclopropyl-5-(2-methoxyethylamino)piperidin-1-yl]-2,3-dihydro-1H-benzimidazole-4-carbonitrile?
The InChIKey is KIYYDZCUDVUOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-25-7-6-21-16-8-15(13-2-3-13)10-24(11-16)17-5-4-14(9-20)18-19(17)23-12-22-18/h4-5,13,15-16,21-23H,2-3,6-8,10-12H2,1H3.
What are the key properties of 7-[3-cyclopropyl-5-(2-methoxyethylamino)piperidin-1-yl]-2,3-dihydro-1H-benzimidazole-4-carbonitrile?
7-[3-cyclopropyl-5-(2-methoxyethylamino)piperidin-1-yl]-2,3-dihydro-1H-benzimidazole-4-carbonitrile has a molecular weight of 341.46 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-cyclopropyl-5-(2-methoxyethylamino)piperidin-1-yl]-2,3-dihydro-1H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 145336525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).