N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide

C19H29N3O — CID 16980528

IUPACN-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide
SMILESCCCCCCCn1c(CCCNC(C)=O)nc2ccccc21
InChIInChI=1S/C19H29N3O/c1-3-4-5-6-9-15-22-18-12-8-7-11-17(18)21-19(22)13-10-14-20-16(2)23/h7-8,11-12H,3-6,9-10,13-15H2,1-2H3,(H,20,23)
InChIKeyNSVVYHAYLZKBIX-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.08
Rot. Bonds10

About N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide

N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide (PubChem CID 16980528) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide
PubChem CID16980528
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide
SMILESCCCCCCCn1c(CCCNC(C)=O)nc2ccccc21
InChIInChI=1S/C19H29N3O/c1-3-4-5-6-9-15-22-18-12-8-7-11-17(18)21-19(22)13-10-14-20-16(2)23/h7-8,11-12H,3-6,9-10,13-15H2,1-2H3,(H,20,23)
InChIKeyNSVVYHAYLZKBIX-UHFFFAOYSA-N
XLogP4.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.08
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-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
CID 16986870
2-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide
CID 16980820
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 18811164
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 18811165
N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202
N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide
CID 17005899
N-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide
CID 16981267
N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide
CID 16992361
2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide
CID 16992362
N-[3-(1-heptylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986709
N-[3-(1-decylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986712
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide?
The IUPAC name of N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide (CID 16980528) is N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide.
What is the SMILES notation for N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide?
The canonical SMILES for N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide is CCCCCCCn1c(CCCNC(C)=O)nc2ccccc21.
What is the InChIKey of N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide?
The InChIKey is NSVVYHAYLZKBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-3-4-5-6-9-15-22-18-12-8-7-11-17(18)21-19(22)13-10-14-20-16(2)23/h7-8,11-12H,3-6,9-10,13-15H2,1-2H3,(H,20,23).
What are the key properties of N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide?
N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide has a molecular weight of 315.46 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide is sourced from PubChem (CID 16980528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).