N-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide

C21H25N5O3 — CID 46375501

IUPACN-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(c3nc4ccccc4n3C)CC2)cc(OC)c1
InChIInChI=1S/C21H25N5O3/c1-24-19-7-5-4-6-18(19)23-20(24)25-8-10-26(11-9-25)21(27)22-15-12-16(28-2)14-17(13-15)29-3/h4-7,12-14H,8-11H2,1-3H3,(H,22,27)
InChIKeyOZDWRZDWDFRDDU-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.94
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide

N-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide (PubChem CID 46375501) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
PubChem CID46375501
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(c3nc4ccccc4n3C)CC2)cc(OC)c1
InChIInChI=1S/C21H25N5O3/c1-24-19-7-5-4-6-18(19)23-20(24)25-8-10-26(11-9-25)21(27)22-15-12-16(28-2)14-17(13-15)29-3/h4-7,12-14H,8-11H2,1-3H3,(H,22,27)
InChIKeyOZDWRZDWDFRDDU-UHFFFAOYSA-N
XLogP2.94
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375484
N-(3,5-dimethoxyphenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83274079
N-(2,4-difluorophenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375509
N-benzyl-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 651770
N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 47162141
N-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108869457
3-(1,3-benzoxazol-2-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 75131700
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide
CID 90591984
ethyl (3R)-3-[[4-(1-methylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
CID 92879184
4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 86986929
cyclopropyl-[4-(1-methylbenzimidazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435392

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide (CID 46375501) is N-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide is COc1cc(NC(=O)N2CCN(c3nc4ccccc4n3C)CC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide?
The InChIKey is OZDWRZDWDFRDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-24-19-7-5-4-6-18(19)23-20(24)25-8-10-26(11-9-25)21(27)22-15-12-16(28-2)14-17(13-15)29-3/h4-7,12-14H,8-11H2,1-3H3,(H,22,27).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide?
N-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 46375501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).