(4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(2-methoxyethylamino)-1-methylbenzimidazol-5-yl]methanone

C20H29N5O2 — CID 157011891

IUPAC(4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(2-methoxyethylamino)-1-methylbenzimidazol-5-yl]methanone
SMILESCOCCNc1nc2cc(C(=O)N3CCN(C4CC4)CC3C)ccc2n1C
InChIInChI=1S/C20H29N5O2/c1-14-13-24(16-5-6-16)9-10-25(14)19(26)15-4-7-18-17(12-15)22-20(23(18)2)21-8-11-27-3/h4,7,12,14,16H,5-6,8-11,13H2,1-3H3,(H,21,22)
InChIKeyOPANBAAGMHZGKV-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.94
Rot. Bonds6

About (4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(2-methoxyethylamino)-1-methylbenzimidazol-5-yl]methanone

(4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(2-methoxyethylamino)-1-methylbenzimidazol-5-yl]methanone (PubChem CID 157011891) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is (4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(2-methoxyethylamino)-1-methylbenzimidazol-5-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(2-methoxyethylamino)-1-methylbenzimidazol-5-yl]methanone
PubChem CID157011891
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name(4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(2-methoxyethylamino)-1-methylbenzimidazol-5-yl]methanone
SMILESCOCCNc1nc2cc(C(=O)N3CCN(C4CC4)CC3C)ccc2n1C
InChIInChI=1S/C20H29N5O2/c1-14-13-24(16-5-6-16)9-10-25(14)19(26)15-4-7-18-17(12-15)22-20(23(18)2)21-8-11-27-3/h4,7,12,14,16H,5-6,8-11,13H2,1-3H3,(H,21,22)
InChIKeyOPANBAAGMHZGKV-UHFFFAOYSA-N
XLogP1.94
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(1-hydroxycyclopropyl)piperidin-1-yl]-[2-(2-methoxyethylamino)-1-methylbenzimidazol-5-yl]methanone
CID 138382009
[(3aR,4R,6aS)-4-phenyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(2-methoxyethylamino)-1-methylbenzimidazol-5-yl]methanone;dihydrochloride
CID 171325473
N-[(3aR,6aS)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-(2-methoxyethylamino)-N,1-dimethylbenzimidazole-5-carboxamide
CID 157017813
2-(2-methoxyethylamino)-1-methyl-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]benzimidazole-5-carboxamide
CID 137339932
(4-cyclopropyl-2-methylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 157019570
(3R,6S,9S,15S)-13-[2-(2-methoxyethylamino)-1-methylbenzimidazole-5-carbonyl]-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone
CID 135102520
[3-[4-(aminomethyl)-2-fluorophenoxy]-4-methoxyphenyl]-(4-cyclopropyl-2-methylpiperazin-1-yl)methanone
CID 157019847
(3R)-N-(2-methoxyethyl)-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
CID 92752194
(2-amino-1,3-thiazol-4-yl)-(4-cyclopropyl-2-methylpiperazin-1-yl)methanone
CID 157019213
N-hydroxy-1-methyl-2-(2-phenylethylamino)benzimidazole-5-carboxamide
CID 129309588
[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[6-ethyl-1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]methanone
CID 134481917
[2-(methoxymethyl)azetidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 136545306

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(2-methoxyethylamino)-1-methylbenzimidazol-5-yl]methanone?
The IUPAC name of (4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(2-methoxyethylamino)-1-methylbenzimidazol-5-yl]methanone (CID 157011891) is (4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(2-methoxyethylamino)-1-methylbenzimidazol-5-yl]methanone.
What is the SMILES notation for (4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(2-methoxyethylamino)-1-methylbenzimidazol-5-yl]methanone?
The canonical SMILES for (4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(2-methoxyethylamino)-1-methylbenzimidazol-5-yl]methanone is COCCNc1nc2cc(C(=O)N3CCN(C4CC4)CC3C)ccc2n1C.
What is the InChIKey of (4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(2-methoxyethylamino)-1-methylbenzimidazol-5-yl]methanone?
The InChIKey is OPANBAAGMHZGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-14-13-24(16-5-6-16)9-10-25(14)19(26)15-4-7-18-17(12-15)22-20(23(18)2)21-8-11-27-3/h4,7,12,14,16H,5-6,8-11,13H2,1-3H3,(H,21,22).
What are the key properties of (4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(2-methoxyethylamino)-1-methylbenzimidazol-5-yl]methanone?
(4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(2-methoxyethylamino)-1-methylbenzimidazol-5-yl]methanone has a molecular weight of 371.49 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(2-methoxyethylamino)-1-methylbenzimidazol-5-yl]methanone is sourced from PubChem (CID 157011891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).