2-decyl-1-pentylbenzimidazole;hydrochloride

C22H37ClN2 — CID 71902549

IUPAC2-decyl-1-pentylbenzimidazole;hydrochloride
SMILESCCCCCCCCCCc1nc2ccccc2n1CCCCC.Cl
InChIInChI=1S/C22H36N2.ClH/c1-3-5-7-8-9-10-11-12-18-22-23-20-16-13-14-17-21(20)24(22)19-15-6-4-2;/h13-14,16-17H,3-12,15,18-19H2,1-2H3;1H
InChIKeyGQOUNCQQPVYQKF-UHFFFAOYSA-N
MW365.01 g/mol
LogP7.33
Rot. Bonds13

About 2-decyl-1-pentylbenzimidazole;hydrochloride

2-decyl-1-pentylbenzimidazole;hydrochloride (PubChem CID 71902549) has the molecular formula C22H37ClN2 and a molecular weight of 365.01 g/mol. Its IUPAC name is 2-decyl-1-pentylbenzimidazole;hydrochloride.

Molecular Properties

Compound Name2-decyl-1-pentylbenzimidazole;hydrochloride
PubChem CID71902549
Molecular FormulaC22H37ClN2
Molecular Weight365.01 g/mol
Exact Mass364.26
IUPAC Name2-decyl-1-pentylbenzimidazole;hydrochloride
SMILESCCCCCCCCCCc1nc2ccccc2n1CCCCC.Cl
InChIInChI=1S/C22H36N2.ClH/c1-3-5-7-8-9-10-11-12-18-22-23-20-16-13-14-17-21(20)24(22)19-15-6-4-2;/h13-14,16-17H,3-12,15,18-19H2,1-2H3;1H
InChIKeyGQOUNCQQPVYQKF-UHFFFAOYSA-N
XLogP7.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.01
LogP ≤ 57.33
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-nonyl-1-undecylbenzimidazole
CID 139787757
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-decyl-1-pentylbenzimidazole;hydrochloride?
The IUPAC name of 2-decyl-1-pentylbenzimidazole;hydrochloride (CID 71902549) is 2-decyl-1-pentylbenzimidazole;hydrochloride.
What is the SMILES notation for 2-decyl-1-pentylbenzimidazole;hydrochloride?
The canonical SMILES for 2-decyl-1-pentylbenzimidazole;hydrochloride is CCCCCCCCCCc1nc2ccccc2n1CCCCC.Cl.
What is the InChIKey of 2-decyl-1-pentylbenzimidazole;hydrochloride?
The InChIKey is GQOUNCQQPVYQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2.ClH/c1-3-5-7-8-9-10-11-12-18-22-23-20-16-13-14-17-21(20)24(22)19-15-6-4-2;/h13-14,16-17H,3-12,15,18-19H2,1-2H3;1H.
What are the key properties of 2-decyl-1-pentylbenzimidazole;hydrochloride?
2-decyl-1-pentylbenzimidazole;hydrochloride has a molecular weight of 365.01 g/mol, XLogP of 7.33, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-1-pentylbenzimidazole;hydrochloride is sourced from PubChem (CID 71902549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).