N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide

C29H41N3O2 — CID 16967951

IUPACN-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
SMILESCCCCCCCCCCCCn1c(C(C)NC(=O)c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C29H41N3O2/c1-4-5-6-7-8-9-10-11-12-17-22-32-26-20-15-14-19-25(26)31-28(32)23(2)30-29(33)24-18-13-16-21-27(24)34-3/h13-16,18-21,23H,4-12,17,22H2,1-3H3,(H,30,33)
InChIKeyHLPQVIKXMPBYCF-UHFFFAOYSA-N
MW463.67 g/mol
LogP7.46
Rot. Bonds15

About N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide

N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide (PubChem CID 16967951) has the molecular formula C29H41N3O2 and a molecular weight of 463.67 g/mol. Its IUPAC name is N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
PubChem CID16967951
Molecular FormulaC29H41N3O2
Molecular Weight463.67 g/mol
Exact Mass463.32
IUPAC NameN-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
SMILESCCCCCCCCCCCCn1c(C(C)NC(=O)c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C29H41N3O2/c1-4-5-6-7-8-9-10-11-12-17-22-32-26-20-15-14-19-25(26)31-28(32)23(2)30-29(33)24-18-13-16-21-27(24)34-3/h13-16,18-21,23H,4-12,17,22H2,1-3H3,(H,30,33)
InChIKeyHLPQVIKXMPBYCF-UHFFFAOYSA-N
XLogP7.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.67
LogP ≤ 57.46
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

2-methoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16968045
2-chloro-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]benzamide
CID 16967636
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 17009937
N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 17009790
N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 17009789
3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 17009941
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 17009628
2,4-dimethyl-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide
CID 16967790
2-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 4201077
N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572
N-[1-(1-decylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 17010101
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 17010098

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide?
The IUPAC name of N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide (CID 16967951) is N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide is CCCCCCCCCCCCn1c(C(C)NC(=O)c2ccccc2OC)nc2ccccc21.
What is the InChIKey of N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide?
The InChIKey is HLPQVIKXMPBYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3O2/c1-4-5-6-7-8-9-10-11-12-17-22-32-26-20-15-14-19-25(26)31-28(32)23(2)30-29(33)24-18-13-16-21-27(24)34-3/h13-16,18-21,23H,4-12,17,22H2,1-3H3,(H,30,33).
What are the key properties of N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide?
N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide has a molecular weight of 463.67 g/mol, XLogP of 7.46, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 16967951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).