N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-4-yl]formamide

C19H21N5O — CID 56980971

IUPACN-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-4-yl]formamide
SMILESCN1CCN(c2ccc(-c3nc4c(NC=O)cccc4[nH]3)cc2)CC1
InChIInChI=1S/C19H21N5O/c1-23-9-11-24(12-10-23)15-7-5-14(6-8-15)19-21-17-4-2-3-16(20-13-25)18(17)22-19/h2-8,13H,9-12H2,1H3,(H,20,25)(H,21,22)
InChIKeyYEMXMBHTDGPTDP-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.55
Rot. Bonds4

About N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-4-yl]formamide

N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-4-yl]formamide (PubChem CID 56980971) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-4-yl]formamide.

Molecular Properties

Compound NameN-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-4-yl]formamide
PubChem CID56980971
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-4-yl]formamide
SMILESCN1CCN(c2ccc(-c3nc4c(NC=O)cccc4[nH]3)cc2)CC1
InChIInChI=1S/C19H21N5O/c1-23-9-11-24(12-10-23)15-7-5-14(6-8-15)19-21-17-4-2-3-16(20-13-25)18(17)22-19/h2-8,13H,9-12H2,1H3,(H,20,25)(H,21,22)
InChIKeyYEMXMBHTDGPTDP-UHFFFAOYSA-N
XLogP2.55
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazol-4-yl]formamide
CID 57177667
N-[2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]-1H-benzimidazol-4-yl]formamide
CID 57198710
N-[2-[6-[3-(4-benzylpiperazin-1-yl)propyl-methylamino]-3-pyridinyl]-1H-benzimidazol-4-yl]formamide
CID 57172673
N-[2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1H-benzimidazol-4-yl]formamide
CID 57064361
2-[4-[3-(4-methylpiperazin-1-yl)phenoxy]phenyl]-1H-benzimidazole
CID 71425720
2-[4-(4-benzhydrylpiperazin-1-yl)phenyl]-1H-benzimidazole-4-carboxamide
CID 68701768
2-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-3H-quinazolin-4-one
CID 168553083
2-[4-(1,4-diazepan-1-yl)phenyl]-1H-benzimidazole-4-carboxamide
CID 68701798
4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline
CID 163663064
5-[(3,5-dichlorophenyl)methoxy]-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole-4-carboxamide
CID 44525869
1-[4-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine
CID 174765758
2-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 165426258

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-4-yl]formamide?
The IUPAC name of N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-4-yl]formamide (CID 56980971) is N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-4-yl]formamide.
What is the SMILES notation for N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-4-yl]formamide?
The canonical SMILES for N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-4-yl]formamide is CN1CCN(c2ccc(-c3nc4c(NC=O)cccc4[nH]3)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-4-yl]formamide?
The InChIKey is YEMXMBHTDGPTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-23-9-11-24(12-10-23)15-7-5-14(6-8-15)19-21-17-4-2-3-16(20-13-25)18(17)22-19/h2-8,13H,9-12H2,1H3,(H,20,25)(H,21,22).
What are the key properties of N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-4-yl]formamide?
N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-4-yl]formamide has a molecular weight of 335.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-4-yl]formamide is sourced from PubChem (CID 56980971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).