N-[(1S)-1-(1-pentylbenzimidazol-2-yl)pentyl]acetamide

C19H29N3O — CID 6998468

IUPACN-[(1S)-1-(1-pentylbenzimidazol-2-yl)pentyl]acetamide
SMILESCCCCCn1c([C@H](CCCC)NC(C)=O)nc2ccccc21
InChIInChI=1S/C19H29N3O/c1-4-6-10-14-22-18-13-9-8-12-16(18)21-19(22)17(11-7-5-2)20-15(3)23/h8-9,12-13,17H,4-7,10-11,14H2,1-3H3,(H,20,23)/t17-/m0/s1
InChIKeyGJBAORMQCXCCHO-KRWDZBQOSA-N
MW315.46 g/mol
LogP4.59
Rot. Bonds9

About N-[(1S)-1-(1-pentylbenzimidazol-2-yl)pentyl]acetamide

N-[(1S)-1-(1-pentylbenzimidazol-2-yl)pentyl]acetamide (PubChem CID 6998468) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[(1S)-1-(1-pentylbenzimidazol-2-yl)pentyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-pentylbenzimidazol-2-yl)pentyl]acetamide
PubChem CID6998468
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-[(1S)-1-(1-pentylbenzimidazol-2-yl)pentyl]acetamide
SMILESCCCCCn1c([C@H](CCCC)NC(C)=O)nc2ccccc21
InChIInChI=1S/C19H29N3O/c1-4-6-10-14-22-18-13-9-8-12-16(18)21-19(22)17(11-7-5-2)20-15(3)23/h8-9,12-13,17H,4-7,10-11,14H2,1-3H3,(H,20,23)/t17-/m0/s1
InChIKeyGJBAORMQCXCCHO-KRWDZBQOSA-N
XLogP4.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
CID 7023918
N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572
N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
CID 7023923
N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide
CID 17005899
N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16969632
1-(1-nonylbenzimidazol-2-yl)ethanamine
CID 82024716
2-benzhydryl-1-hexadecylbenzimidazole
CID 16987201
2-chloro-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]benzamide
CID 16967636
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965375
N-[1-(1-nonylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965377
1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole
CID 101260842
N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]acetamide
CID 39948802

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-pentylbenzimidazol-2-yl)pentyl]acetamide?
The IUPAC name of N-[(1S)-1-(1-pentylbenzimidazol-2-yl)pentyl]acetamide (CID 6998468) is N-[(1S)-1-(1-pentylbenzimidazol-2-yl)pentyl]acetamide.
What is the SMILES notation for N-[(1S)-1-(1-pentylbenzimidazol-2-yl)pentyl]acetamide?
The canonical SMILES for N-[(1S)-1-(1-pentylbenzimidazol-2-yl)pentyl]acetamide is CCCCCn1c([C@H](CCCC)NC(C)=O)nc2ccccc21.
What is the InChIKey of N-[(1S)-1-(1-pentylbenzimidazol-2-yl)pentyl]acetamide?
The InChIKey is GJBAORMQCXCCHO-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N3O/c1-4-6-10-14-22-18-13-9-8-12-16(18)21-19(22)17(11-7-5-2)20-15(3)23/h8-9,12-13,17H,4-7,10-11,14H2,1-3H3,(H,20,23)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(1-pentylbenzimidazol-2-yl)pentyl]acetamide?
N-[(1S)-1-(1-pentylbenzimidazol-2-yl)pentyl]acetamide has a molecular weight of 315.46 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-pentylbenzimidazol-2-yl)pentyl]acetamide is sourced from PubChem (CID 6998468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).