2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide

C18H22N8O — CID 87055718

IUPAC2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide
SMILESCCNc1cnc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1
InChIInChI=1S/C18H22N8O/c1-2-20-12-10-21-17(22-11-12)25-6-8-26(9-7-25)18-23-14-5-3-4-13(16(19)27)15(14)24-18/h3-5,10-11,20H,2,6-9H2,1H3,(H2,19,27)(H,23,24)
InChIKeyRXQKALCTXYWXKO-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.21
Rot. Bonds5

About 2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide

2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 87055718) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide
PubChem CID87055718
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC Name2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide
SMILESCCNc1cnc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1
InChIInChI=1S/C18H22N8O/c1-2-20-12-10-21-17(22-11-12)25-6-8-26(9-7-25)18-23-14-5-3-4-13(16(19)27)15(14)24-18/h3-5,10-11,20H,2,6-9H2,1H3,(H2,19,27)(H,23,24)
InChIKeyRXQKALCTXYWXKO-UHFFFAOYSA-N
XLogP1.21
TPSA116.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide
CID 121385112
2-(4-benzylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide
CID 18428214
2-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide
CID 18428278
2-[4-[2-(4-bromophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide
CID 18428286
2-amino-1H-benzimidazole-4-carboxamide
CID 10442222
2-[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23432943
2-(3-methyl-1-propylazetidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 11960832
2-[1-(propylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide
CID 11960018
6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide
CID 142771048
2-[6-[2-(4-methyl-1,4-diazepan-1-yl)ethylamino]-3-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23433052
6-fluoro-2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide
CID 87056116
2-(1-propylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide
CID 25190747

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide (CID 87055718) is 2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide is CCNc1cnc(N2CCN(c3nc4c(C(N)=O)cccc4[nH]3)CC2)nc1.
What is the InChIKey of 2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is RXQKALCTXYWXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-2-20-12-10-21-17(22-11-12)25-6-8-26(9-7-25)18-23-14-5-3-4-13(16(19)27)15(14)24-18/h3-5,10-11,20H,2,6-9H2,1H3,(H2,19,27)(H,23,24).
What are the key properties of 2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 87055718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).