N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide

C19H19BrN4O — CID 16966177

IUPACN-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide
SMILESC=C(Br)Cn1c(CCCNC(=O)c2ccccn2)nc2ccccc21
InChIInChI=1S/C19H19BrN4O/c1-14(20)13-24-17-9-3-2-7-15(17)23-18(24)10-6-12-22-19(25)16-8-4-5-11-21-16/h2-5,7-9,11H,1,6,10,12-13H2,(H,22,25)
InChIKeyNFTAVVACIDGKQX-UHFFFAOYSA-N
MW399.29 g/mol
LogP3.70
Rot. Bonds7

About N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide

N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide (PubChem CID 16966177) has the molecular formula C19H19BrN4O and a molecular weight of 399.29 g/mol. Its IUPAC name is N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide
PubChem CID16966177
Molecular FormulaC19H19BrN4O
Molecular Weight399.29 g/mol
Exact Mass398.07
IUPAC NameN-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide
SMILESC=C(Br)Cn1c(CCCNC(=O)c2ccccn2)nc2ccccc21
InChIInChI=1S/C19H19BrN4O/c1-14(20)13-24-17-9-3-2-7-15(17)23-18(24)10-6-12-22-19(25)16-8-4-5-11-21-16/h2-5,7-9,11H,1,6,10,12-13H2,(H,22,25)
InChIKeyNFTAVVACIDGKQX-UHFFFAOYSA-N
XLogP3.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966317
N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]acetamide
CID 16980523
N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966248
N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966196
N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]-3-chlorobenzamide
CID 16990406
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966223
N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966240
N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966465
N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994618
N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966276
N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966463
N-[3-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966226

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide (CID 16966177) is N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide is C=C(Br)Cn1c(CCCNC(=O)c2ccccn2)nc2ccccc21.
What is the InChIKey of N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide?
The InChIKey is NFTAVVACIDGKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O/c1-14(20)13-24-17-9-3-2-7-15(17)23-18(24)10-6-12-22-19(25)16-8-4-5-11-21-16/h2-5,7-9,11H,1,6,10,12-13H2,(H,22,25).
What are the key properties of N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide?
N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide has a molecular weight of 399.29 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide is sourced from PubChem (CID 16966177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).