[4-[(5-amino-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone

C21H25N5O2 — CID 17129235

IUPAC[4-[(5-amino-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(Cc2nc3cc(N)ccc3n2C)CC1
InChIInChI=1S/C21H25N5O2/c1-24-18-8-7-15(22)13-17(18)23-20(24)14-25-9-11-26(12-10-25)21(27)16-5-3-4-6-19(16)28-2/h3-8,13H,9-12,14,22H2,1-2H3
InChIKeyPEVKCPRVGKLPHV-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.12
Rot. Bonds4

About [4-[(5-amino-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone

[4-[(5-amino-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 17129235) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is [4-[(5-amino-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[(5-amino-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID17129235
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name[4-[(5-amino-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(Cc2nc3cc(N)ccc3n2C)CC1
InChIInChI=1S/C21H25N5O2/c1-24-18-8-7-15(22)13-17(18)23-20(24)14-25-9-11-26(12-10-25)21(27)16-5-3-4-6-19(16)28-2/h3-8,13H,9-12,14,22H2,1-2H3
InChIKeyPEVKCPRVGKLPHV-UHFFFAOYSA-N
XLogP2.12
TPSA76.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 9238489
(2-methoxyphenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 34555816
N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-2-methoxybenzamide
CID 4887664
2-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanethioamide
CID 63336323
[4-(1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 56894959
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone
CID 63308302
[4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 52879137
3,4-dimethoxy-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236037
(4-tert-butylphenyl)-[4-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]piperazin-1-yl]methanone
CID 50822440
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 86977364
(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 6422948
3-[4-(4-amino-2-methoxybenzoyl)piperazin-1-yl]propanenitrile
CID 107207970

Frequently Asked Questions

What is the IUPAC name of [4-[(5-amino-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-[(5-amino-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone (CID 17129235) is [4-[(5-amino-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-[(5-amino-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-[(5-amino-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCN(Cc2nc3cc(N)ccc3n2C)CC1.
What is the InChIKey of [4-[(5-amino-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is PEVKCPRVGKLPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-24-18-8-7-15(22)13-17(18)23-20(24)14-25-9-11-26(12-10-25)21(27)16-5-3-4-6-19(16)28-2/h3-8,13H,9-12,14,22H2,1-2H3.
What are the key properties of [4-[(5-amino-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
[4-[(5-amino-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 379.46 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-amino-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 17129235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).