N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide

C17H23N3O — CID 16975142

IUPACN-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
SMILESCCCCn1c(CCNC(=O)C2CC2)nc2ccccc21
InChIInChI=1S/C17H23N3O/c1-2-3-12-20-15-7-5-4-6-14(15)19-16(20)10-11-18-17(21)13-8-9-13/h4-7,13H,2-3,8-12H2,1H3,(H,18,21)
InChIKeyZUQBAOSIKLPNQD-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.91
Rot. Bonds7

About N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide

N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide (PubChem CID 16975142) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
PubChem CID16975142
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
SMILESCCCCn1c(CCNC(=O)C2CC2)nc2ccccc21
InChIInChI=1S/C17H23N3O/c1-2-3-12-20-15-7-5-4-6-14(15)19-16(20)10-11-18-17(21)13-8-9-13/h4-7,13H,2-3,8-12H2,1H3,(H,18,21)
InChIKeyZUQBAOSIKLPNQD-UHFFFAOYSA-N
XLogP2.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975148
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide
CID 18888831
N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981622
N-[3-(1-heptylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981619
N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 18888908
N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969793
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975315
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975314
N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975236
N-[2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975254
N-[2-(1-butylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980207
N-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 16968415

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide (CID 16975142) is N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide is CCCCn1c(CCNC(=O)C2CC2)nc2ccccc21.
What is the InChIKey of N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is ZUQBAOSIKLPNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-3-12-20-15-7-5-4-6-14(15)19-16(20)10-11-18-17(21)13-8-9-13/h4-7,13H,2-3,8-12H2,1H3,(H,18,21).
What are the key properties of N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide?
N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 16975142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).