2-nonyl-1-undecylbenzimidazole

C27H46N2 — CID 139787757

IUPAC2-nonyl-1-undecylbenzimidazole
SMILESCCCCCCCCCCCn1c(CCCCCCCCC)nc2ccccc21
InChIInChI=1S/C27H46N2/c1-3-5-7-9-11-12-14-16-20-24-29-26-22-19-18-21-25(26)28-27(29)23-17-15-13-10-8-6-4-2/h18-19,21-22H,3-17,20,23-24H2,1-2H3
InChIKeyJCODXKQCMFDHKM-UHFFFAOYSA-N
MW398.68 g/mol
LogP8.86
Rot. Bonds18

About 2-nonyl-1-undecylbenzimidazole

2-nonyl-1-undecylbenzimidazole (PubChem CID 139787757) has the molecular formula C27H46N2 and a molecular weight of 398.68 g/mol. Its IUPAC name is 2-nonyl-1-undecylbenzimidazole.

Molecular Properties

Compound Name2-nonyl-1-undecylbenzimidazole
PubChem CID139787757
Molecular FormulaC27H46N2
Molecular Weight398.68 g/mol
Exact Mass398.37
IUPAC Name2-nonyl-1-undecylbenzimidazole
SMILESCCCCCCCCCCCn1c(CCCCCCCCC)nc2ccccc21
InChIInChI=1S/C27H46N2/c1-3-5-7-9-11-12-14-16-20-24-29-26-22-19-18-21-25(26)28-27(29)23-17-15-13-10-8-6-4-2/h18-19,21-22H,3-17,20,23-24H2,1-2H3
InChIKeyJCODXKQCMFDHKM-UHFFFAOYSA-N
XLogP8.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.68
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-heptyl-1-nonylbenzimidazole
CID 139787766
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
10-(1-butylbenzimidazol-2-yl)decan-1-amine
CID 92629122
1-ethyl-2-pentylbenzimidazole
CID 3463966
3-(2-nonylbenzimidazol-1-yl)propanenitrile
CID 3414189
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide
CID 16980528
N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide
CID 16988638
1-dodecyl-2-(methoxymethyl)benzimidazole
CID 16996870
2-benzyl-1-hexadecylbenzimidazole
CID 4627397
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287

Frequently Asked Questions

What is the IUPAC name of 2-nonyl-1-undecylbenzimidazole?
The IUPAC name of 2-nonyl-1-undecylbenzimidazole (CID 139787757) is 2-nonyl-1-undecylbenzimidazole.
What is the SMILES notation for 2-nonyl-1-undecylbenzimidazole?
The canonical SMILES for 2-nonyl-1-undecylbenzimidazole is CCCCCCCCCCCn1c(CCCCCCCCC)nc2ccccc21.
What is the InChIKey of 2-nonyl-1-undecylbenzimidazole?
The InChIKey is JCODXKQCMFDHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46N2/c1-3-5-7-9-11-12-14-16-20-24-29-26-22-19-18-21-25(26)28-27(29)23-17-15-13-10-8-6-4-2/h18-19,21-22H,3-17,20,23-24H2,1-2H3.
What are the key properties of 2-nonyl-1-undecylbenzimidazole?
2-nonyl-1-undecylbenzimidazole has a molecular weight of 398.68 g/mol, XLogP of 8.86, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-1-undecylbenzimidazole is sourced from PubChem (CID 139787757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).