2-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3H-benzimidazole-5-carboxamide

C20H29N5O — CID 74242211

IUPAC2-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)NCC3(N4CCN(C)CC4)CCCC3)cc2[nH]1
InChIInChI=1S/C20H29N5O/c1-15-22-17-6-5-16(13-18(17)23-15)19(26)21-14-20(7-3-4-8-20)25-11-9-24(2)10-12-25/h5-6,13H,3-4,7-12,14H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyWKSSZVNZEKUBGS-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.16
Rot. Bonds4

About 2-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3H-benzimidazole-5-carboxamide

2-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 74242211) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3H-benzimidazole-5-carboxamide
PubChem CID74242211
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name2-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)NCC3(N4CCN(C)CC4)CCCC3)cc2[nH]1
InChIInChI=1S/C20H29N5O/c1-15-22-17-6-5-16(13-18(17)23-15)19(26)21-14-20(7-3-4-8-20)25-11-9-24(2)10-12-25/h5-6,13H,3-4,7-12,14H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyWKSSZVNZEKUBGS-UHFFFAOYSA-N
XLogP2.16
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-pyridin-4-ylbenzamide
CID 118793572
ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 144710536
2-methyl-N-propyl-3H-benzimidazole-5-carboxamide
CID 594617
N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 70877342
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 155987447
4-amino-3-ethanimidoyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]benzamide
CID 134567416
N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
CID 176506711
N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
CID 91948871
3-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide;trihydrochloride
CID 119903541
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 74240532
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110692469
1-(2-methyl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052621

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3H-benzimidazole-5-carboxamide (CID 74242211) is 2-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3H-benzimidazole-5-carboxamide is Cc1nc2ccc(C(=O)NCC3(N4CCN(C)CC4)CCCC3)cc2[nH]1.
What is the InChIKey of 2-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is WKSSZVNZEKUBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-15-22-17-6-5-16(13-18(17)23-15)19(26)21-14-20(7-3-4-8-20)25-11-9-24(2)10-12-25/h5-6,13H,3-4,7-12,14H2,1-2H3,(H,21,26)(H,22,23).
What are the key properties of 2-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3H-benzimidazole-5-carboxamide?
2-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 74242211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).