N-(2,4-difluorophenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide

C19H19F2N5O — CID 46375509

IUPACN-(2,4-difluorophenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
SMILESCn1c(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)nc2ccccc21
InChIInChI=1S/C19H19F2N5O/c1-24-17-5-3-2-4-16(17)22-18(24)25-8-10-26(11-9-25)19(27)23-15-7-6-13(20)12-14(15)21/h2-7,12H,8-11H2,1H3,(H,23,27)
InChIKeyVNPQTYUHSCACOB-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.21
Rot. Bonds2

About N-(2,4-difluorophenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide

N-(2,4-difluorophenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide (PubChem CID 46375509) has the molecular formula C19H19F2N5O and a molecular weight of 371.39 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
PubChem CID46375509
Molecular FormulaC19H19F2N5O
Molecular Weight371.39 g/mol
Exact Mass371.16
IUPAC NameN-(2,4-difluorophenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
SMILESCn1c(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)nc2ccccc21
InChIInChI=1S/C19H19F2N5O/c1-24-17-5-3-2-4-16(17)22-18(24)25-8-10-26(11-9-25)19(27)23-15-7-6-13(20)12-14(15)21/h2-7,12H,8-11H2,1H3,(H,23,27)
InChIKeyVNPQTYUHSCACOB-UHFFFAOYSA-N
XLogP3.21
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
CID 53070100
N-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375501
N-(5-chloro-2,4-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375484
N-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 27869266
N-(2,4-difluorophenyl)-4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56919621
4-(2-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113112616
4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 3758236
N-(2,5-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
CID 53070091
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 50805060
4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113112680
1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16770140
N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide
CID 60819455

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide (CID 46375509) is N-(2,4-difluorophenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide is Cn1c(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)nc2ccccc21.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide?
The InChIKey is VNPQTYUHSCACOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O/c1-24-17-5-3-2-4-16(17)22-18(24)25-8-10-26(11-9-25)19(27)23-15-7-6-13(20)12-14(15)21/h2-7,12H,8-11H2,1H3,(H,23,27).
What are the key properties of N-(2,4-difluorophenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide?
N-(2,4-difluorophenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 46375509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).