2-heptyl-1-nonylbenzimidazole

C23H38N2 — CID 139787766

IUPAC2-heptyl-1-nonylbenzimidazole
SMILESCCCCCCCCCn1c(CCCCCCC)nc2ccccc21
InChIInChI=1S/C23H38N2/c1-3-5-7-9-10-12-16-20-25-22-18-15-14-17-21(22)24-23(25)19-13-11-8-6-4-2/h14-15,17-18H,3-13,16,19-20H2,1-2H3
InChIKeySRJHYIGZBHGQRS-UHFFFAOYSA-N
MW342.57 g/mol
LogP7.30
Rot. Bonds14

About 2-heptyl-1-nonylbenzimidazole

2-heptyl-1-nonylbenzimidazole (PubChem CID 139787766) has the molecular formula C23H38N2 and a molecular weight of 342.57 g/mol. Its IUPAC name is 2-heptyl-1-nonylbenzimidazole.

Molecular Properties

Compound Name2-heptyl-1-nonylbenzimidazole
PubChem CID139787766
Molecular FormulaC23H38N2
Molecular Weight342.57 g/mol
Exact Mass342.30
IUPAC Name2-heptyl-1-nonylbenzimidazole
SMILESCCCCCCCCCn1c(CCCCCCC)nc2ccccc21
InChIInChI=1S/C23H38N2/c1-3-5-7-9-10-12-16-20-25-22-18-15-14-17-21(22)24-23(25)19-13-11-8-6-4-2/h14-15,17-18H,3-13,16,19-20H2,1-2H3
InChIKeySRJHYIGZBHGQRS-UHFFFAOYSA-N
XLogP7.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 57.30
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-nonyl-1-undecylbenzimidazole
CID 139787757
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-heptyl-1-nonylbenzimidazole?
The IUPAC name of 2-heptyl-1-nonylbenzimidazole (CID 139787766) is 2-heptyl-1-nonylbenzimidazole.
What is the SMILES notation for 2-heptyl-1-nonylbenzimidazole?
The canonical SMILES for 2-heptyl-1-nonylbenzimidazole is CCCCCCCCCn1c(CCCCCCC)nc2ccccc21.
What is the InChIKey of 2-heptyl-1-nonylbenzimidazole?
The InChIKey is SRJHYIGZBHGQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2/c1-3-5-7-9-10-12-16-20-25-22-18-15-14-17-21(22)24-23(25)19-13-11-8-6-4-2/h14-15,17-18H,3-13,16,19-20H2,1-2H3.
What are the key properties of 2-heptyl-1-nonylbenzimidazole?
2-heptyl-1-nonylbenzimidazole has a molecular weight of 342.57 g/mol, XLogP of 7.30, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-1-nonylbenzimidazole is sourced from PubChem (CID 139787766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).