2-[6-[3-(4-methylpiperazin-1-yl)propoxy]-2-pyridinyl]-1H-benzimidazole-4-carboxamide

C21H26N6O2 — CID 23432970

IUPAC2-[6-[3-(4-methylpiperazin-1-yl)propoxy]-2-pyridinyl]-1H-benzimidazole-4-carboxamide
SMILESCN1CCN(CCCOc2cccc(-c3nc4c(C(N)=O)cccc4[nH]3)n2)CC1
InChIInChI=1S/C21H26N6O2/c1-26-10-12-27(13-11-26)9-4-14-29-18-8-3-7-17(23-18)21-24-16-6-2-5-15(20(22)28)19(16)25-21/h2-3,5-8H,4,9-14H2,1H3,(H2,22,28)(H,24,25)
InChIKeySAQCAWLZDCQHKX-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.74
Rot. Bonds7

About 2-[6-[3-(4-methylpiperazin-1-yl)propoxy]-2-pyridinyl]-1H-benzimidazole-4-carboxamide

2-[6-[3-(4-methylpiperazin-1-yl)propoxy]-2-pyridinyl]-1H-benzimidazole-4-carboxamide (PubChem CID 23432970) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[6-[3-(4-methylpiperazin-1-yl)propoxy]-2-pyridinyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[6-[3-(4-methylpiperazin-1-yl)propoxy]-2-pyridinyl]-1H-benzimidazole-4-carboxamide
PubChem CID23432970
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name2-[6-[3-(4-methylpiperazin-1-yl)propoxy]-2-pyridinyl]-1H-benzimidazole-4-carboxamide
SMILESCN1CCN(CCCOc2cccc(-c3nc4c(C(N)=O)cccc4[nH]3)n2)CC1
InChIInChI=1S/C21H26N6O2/c1-26-10-12-27(13-11-26)9-4-14-29-18-8-3-7-17(23-18)21-24-16-6-2-5-15(20(22)28)19(16)25-21/h2-3,5-8H,4,9-14H2,1H3,(H2,22,28)(H,24,25)
InChIKeySAQCAWLZDCQHKX-UHFFFAOYSA-N
XLogP1.74
TPSA100.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3'-Methoxyphenyl) Benzimidazole-4-Carboxamide
CID 1511
2-{4-[3-(dimethylamino)propoxy]phenyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one
CID 10292240
2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide
CID 10423087
2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11501187
2-{4-[(1-Benzylpiperidin-4-YL)methoxy]phenyl}-1H-benzimidazole-6-carboxamide
CID 11524997
6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide
CID 133053541
4-amino-3-(1H-benzimidazol-2-yl)-5-(1-methylpiperidin-3-yl)oxy-1H-quinolin-2-one
CID 135674167
2-[3-methoxy-4-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methoxy]phenyl]-1H-benzimidazole-4-carboxamide
CID 9953922
2-[4-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methoxy]phenyl]-1H-benzimidazole-4-carboxamide
CID 11257801
N-[5-(1H-1,3-Benzodiazol-2-YL)-2-methylphenyl]-3-propoxybenzamide
CID 15991043
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-propoxybenzamide
CID 2718165
2-(4-p-Tolyloxy-phenyl)-1H-benzoimidazole-5-carboxylic acid amide
CID 9902666

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(4-methylpiperazin-1-yl)propoxy]-2-pyridinyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[6-[3-(4-methylpiperazin-1-yl)propoxy]-2-pyridinyl]-1H-benzimidazole-4-carboxamide (CID 23432970) is 2-[6-[3-(4-methylpiperazin-1-yl)propoxy]-2-pyridinyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[6-[3-(4-methylpiperazin-1-yl)propoxy]-2-pyridinyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[6-[3-(4-methylpiperazin-1-yl)propoxy]-2-pyridinyl]-1H-benzimidazole-4-carboxamide is CN1CCN(CCCOc2cccc(-c3nc4c(C(N)=O)cccc4[nH]3)n2)CC1.
What is the InChIKey of 2-[6-[3-(4-methylpiperazin-1-yl)propoxy]-2-pyridinyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is SAQCAWLZDCQHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-26-10-12-27(13-11-26)9-4-14-29-18-8-3-7-17(23-18)21-24-16-6-2-5-15(20(22)28)19(16)25-21/h2-3,5-8H,4,9-14H2,1H3,(H2,22,28)(H,24,25).
What are the key properties of 2-[6-[3-(4-methylpiperazin-1-yl)propoxy]-2-pyridinyl]-1H-benzimidazole-4-carboxamide?
2-[6-[3-(4-methylpiperazin-1-yl)propoxy]-2-pyridinyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(4-methylpiperazin-1-yl)propoxy]-2-pyridinyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 23432970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).