N-[5-(1H-benzimidazol-2-yl)pentyl]-2-methylprop-2-enamide

C16H21N3O — CID 18783633

IUPACN-[5-(1H-benzimidazol-2-yl)pentyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H21N3O/c1-12(2)16(20)17-11-7-3-4-10-15-18-13-8-5-6-9-14(13)19-15/h5-6,8-9H,1,3-4,7,10-11H2,2H3,(H,17,20)(H,18,19)
InChIKeyQNRFYNAOVBXPCR-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.97
Rot. Bonds7

About N-[5-(1H-benzimidazol-2-yl)pentyl]-2-methylprop-2-enamide

N-[5-(1H-benzimidazol-2-yl)pentyl]-2-methylprop-2-enamide (PubChem CID 18783633) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)pentyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)pentyl]-2-methylprop-2-enamide
PubChem CID18783633
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[5-(1H-benzimidazol-2-yl)pentyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H21N3O/c1-12(2)16(20)17-11-7-3-4-10-15-18-13-8-5-6-9-14(13)19-15/h5-6,8-9H,1,3-4,7,10-11H2,2H3,(H,17,20)(H,18,19)
InChIKeyQNRFYNAOVBXPCR-UHFFFAOYSA-N
XLogP2.97
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
ethyl 2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoacetate
CID 110461546
tetrakis(2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole);tetrakis(cobalt(2+));ethanol;octaacetate
CID 139070067
N-[4-(1H-benzimidazol-2-ylmethylamino)butyl]acetamide
CID 126714287
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide
CID 134032843
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
methyl 6-(1H-benzimidazol-2-yl)hexanoate
CID 11265100
2-heptadecyl-1H-benzimidazole;sulfuric acid
CID 70491996
3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride
CID 120502679
N-[3-(1H-benzimidazol-2-yl)propyl]-5-methyl-2H-triazole-4-carboxamide
CID 122564722

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)pentyl]-2-methylprop-2-enamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)pentyl]-2-methylprop-2-enamide (CID 18783633) is N-[5-(1H-benzimidazol-2-yl)pentyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)pentyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)pentyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCCCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)pentyl]-2-methylprop-2-enamide?
The InChIKey is QNRFYNAOVBXPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)16(20)17-11-7-3-4-10-15-18-13-8-5-6-9-14(13)19-15/h5-6,8-9H,1,3-4,7,10-11H2,2H3,(H,17,20)(H,18,19).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)pentyl]-2-methylprop-2-enamide?
N-[5-(1H-benzimidazol-2-yl)pentyl]-2-methylprop-2-enamide has a molecular weight of 271.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)pentyl]-2-methylprop-2-enamide is sourced from PubChem (CID 18783633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).