N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide

C24H31N3O2 — CID 16988661

IUPACN-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
SMILESCOc1ccccc1Cn1c(CCCCCNC(=O)C(C)C)nc2ccccc21
InChIInChI=1S/C24H31N3O2/c1-18(2)24(28)25-16-10-4-5-15-23-26-20-12-7-8-13-21(20)27(23)17-19-11-6-9-14-22(19)29-3/h6-9,11-14,18H,4-5,10,15-17H2,1-3H3,(H,25,28)
InChIKeyPICOLAKWVYYSAT-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.58
Rot. Bonds10

About N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide

N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide (PubChem CID 16988661) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
PubChem CID16988661
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
SMILESCOc1ccccc1Cn1c(CCCCCNC(=O)C(C)C)nc2ccccc21
InChIInChI=1S/C24H31N3O2/c1-18(2)24(28)25-16-10-4-5-15-23-26-20-12-7-8-13-21(20)27(23)17-19-11-6-9-14-22(19)29-3/h6-9,11-14,18H,4-5,10,15-17H2,1-3H3,(H,25,28)
InChIKeyPICOLAKWVYYSAT-UHFFFAOYSA-N
XLogP4.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.58
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

4-methoxy-N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991253
2-methoxy-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990100
N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide
CID 16988638
2-methyl-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]propanamide
CID 16988663
propan-2-yl 2-[2-[5-(2-methylpropanoylamino)pentyl]benzimidazol-1-yl]acetate
CID 16988772
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 4754827
N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006062
N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988739
N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969493
N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988648
2-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide
CID 16980820
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 18811164

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide?
The IUPAC name of N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide (CID 16988661) is N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide?
The canonical SMILES for N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide is COc1ccccc1Cn1c(CCCCCNC(=O)C(C)C)nc2ccccc21.
What is the InChIKey of N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide?
The InChIKey is PICOLAKWVYYSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18(2)24(28)25-16-10-4-5-15-23-26-20-12-7-8-13-21(20)27(23)17-19-11-6-9-14-22(19)29-3/h6-9,11-14,18H,4-5,10,15-17H2,1-3H3,(H,25,28).
What are the key properties of N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide?
N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide has a molecular weight of 393.53 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide is sourced from PubChem (CID 16988661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).