N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[methyl(propan-2-yl)amino]acetamide

C17H26N4O — CID 47082344

IUPACN-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
SMILESCc1nc2ccccc2n1CCCNC(=O)CN(C)C(C)C
InChIInChI=1S/C17H26N4O/c1-13(2)20(4)12-17(22)18-10-7-11-21-14(3)19-15-8-5-6-9-16(15)21/h5-6,8-9,13H,7,10-12H2,1-4H3,(H,18,22)
InChIKeyBGCAXUPALMGQOY-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.19
Rot. Bonds7

About N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[methyl(propan-2-yl)amino]acetamide

N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[methyl(propan-2-yl)amino]acetamide (PubChem CID 47082344) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[methyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
PubChem CID47082344
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
SMILESCc1nc2ccccc2n1CCCNC(=O)CN(C)C(C)C
InChIInChI=1S/C17H26N4O/c1-13(2)20(4)12-17(22)18-10-7-11-21-14(3)19-15-8-5-6-9-16(15)21/h5-6,8-9,13H,7,10-12H2,1-4H3,(H,18,22)
InChIKeyBGCAXUPALMGQOY-UHFFFAOYSA-N
XLogP2.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide
CID 86829312
2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride
CID 120703538
2-[formyl(methyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 142104705
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide
CID 51711691
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55340390
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149
ethyl 2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoacetate
CID 110292029
3-(4-chlorophenyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide
CID 51336912
1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea
CID 47238303
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
1-(1-hydroxybutan-2-yl)-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea
CID 110894452
N-[3-(2-methylbenzimidazol-1-yl)propyl]-4-(2-methylpropanoylamino)benzamide
CID 55628913

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[methyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[methyl(propan-2-yl)amino]acetamide (CID 47082344) is N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[methyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[methyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[methyl(propan-2-yl)amino]acetamide is Cc1nc2ccccc2n1CCCNC(=O)CN(C)C(C)C.
What is the InChIKey of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[methyl(propan-2-yl)amino]acetamide?
The InChIKey is BGCAXUPALMGQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13(2)20(4)12-17(22)18-10-7-11-21-14(3)19-15-8-5-6-9-16(15)21/h5-6,8-9,13H,7,10-12H2,1-4H3,(H,18,22).
What are the key properties of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[methyl(propan-2-yl)amino]acetamide?
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[methyl(propan-2-yl)amino]acetamide has a molecular weight of 302.42 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[methyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 47082344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).