N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide

C19H24BrN3O — CID 16989110

IUPACN-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
SMILESC=C(Br)Cn1c(CCCCCNC(=O)C2CC2)nc2ccccc21
InChIInChI=1S/C19H24BrN3O/c1-14(20)13-23-17-8-5-4-7-16(17)22-18(23)9-3-2-6-12-21-19(24)15-10-11-15/h4-5,7-8,15H,1-3,6,9-13H2,(H,21,24)
InChIKeyQHNFCSFTIQLNIJ-UHFFFAOYSA-N
MW390.33 g/mol
LogP4.18
Rot. Bonds9

About N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide

N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide (PubChem CID 16989110) has the molecular formula C19H24BrN3O and a molecular weight of 390.33 g/mol. Its IUPAC name is N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
PubChem CID16989110
Molecular FormulaC19H24BrN3O
Molecular Weight390.33 g/mol
Exact Mass389.11
IUPAC NameN-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
SMILESC=C(Br)Cn1c(CCCCCNC(=O)C2CC2)nc2ccccc21
InChIInChI=1S/C19H24BrN3O/c1-14(20)13-23-17-8-5-4-7-16(17)22-18(23)9-3-2-6-12-21-19(24)15-10-11-15/h4-5,7-8,15H,1-3,6,9-13H2,(H,21,24)
InChIKeyQHNFCSFTIQLNIJ-UHFFFAOYSA-N
XLogP4.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 54.18
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

methyl 2-[2-[5-(cyclohexanecarbonylamino)pentyl]benzimidazol-1-yl]acetate
CID 16989094
N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide
CID 16988950
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981751
N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide
CID 16988943
N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981612
N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 17031298
N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]acetamide
CID 16980523
N-[3-(1-heptylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981619
N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981622
N-[3-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 17031290
N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16989089
N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994618

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide (CID 16989110) is N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide is C=C(Br)Cn1c(CCCCCNC(=O)C2CC2)nc2ccccc21.
What is the InChIKey of N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide?
The InChIKey is QHNFCSFTIQLNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O/c1-14(20)13-23-17-8-5-4-7-16(17)22-18(23)9-3-2-6-12-21-19(24)15-10-11-15/h4-5,7-8,15H,1-3,6,9-13H2,(H,21,24).
What are the key properties of N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide?
N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide has a molecular weight of 390.33 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide is sourced from PubChem (CID 16989110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).